Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl) hydrogen phosphate (C24H9F42O4P)

Structural Information

Molecular Formula

SMILES

C(COP(=O)(O)OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C24H9F42O4P/c25-5(26,7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)17(49,50)19(53,54)21(57,58)23(61,62)63)1-3-69-71(67,68)70-4-2-6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(47,48)18(51,52)20(55,56)22(59,60)24(64,65)66/h1-4H2,(H,67,68)

InChIKey

FHENBBPEACDTCF-UHFFFAOYSA-N

Compound name

bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl) hydrogen phosphate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1190.964076	281.4
[M+Na]+	1212.946018	281.0
[M-H]-	1188.949524	294.3
[M+NH4]+	1207.990623	291.6
[M+K]+	1228.919958	294.9
[M+H-H2O]+	1172.954060	267.9
[M+HCOO]-	1234.955001	290.9
[M+CH3COO]-	1248.970651	279.1
[M+Na-2H]-	1210.931466	282.2
[M]+	1189.95625142	274.5
[M]-	1189.95734858	274.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1190.964076

281.4

[M+Na]+

1212.946018

281.0

[M-H]-

1188.949524

294.3

[M+NH4]+

1207.990623

291.6

[M+K]+

1228.919958

294.9

[M+H-H2O]+

1172.954060

267.9

[M+HCOO]-

1234.955001

290.9

[M+CH3COO]-

1248.970651

279.1

[M+Na-2H]-

1210.931466

282.2

[M]+

1189.95625142

274.5

[M]-

1189.95734858

274.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl) hydrogen phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe