10:10 perfluorophosphinate (C18HF38O2P)

Structural Information

Molecular Formula

SMILES

C(C(C(C(C(C(F)(F)P(=O)(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)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C18HF38O2P/c19-1(20,3(23,24)7(31,32)11(39,40)15(47,48)49)2(21,22)5(27,28)9(35,36)13(43,44)17(53,54)59(57,58)18(55,56)14(45,46)10(37,38)6(29,30)4(25,26)8(33,34)12(41,42)16(50,51)52/h(H,57,58)

InChIKey

UTGAGDCMDRUBTA-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phosphinic acid

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]+	1002.918046	252.3
[M+Na]+	1024.899988	252.7
[M-H]-	1000.903494	265.5
[M+NH4]+	1019.944593	263.2
[M+K]+	1040.873928	267.3
[M+H-H2O]+	984.908030	237.2
[M+HCOO]-	1046.908971	264.6
[M+CH3COO]-	1060.924621	275.0
[M+Na-2H]-	1022.885436	254.1
[M]+	1001.91022142	246.6
[M]-	1001.91131858	246.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1002.918046

252.3

[M+Na]+

1024.899988

252.7

[M-H]-

1000.903494

265.5

[M+NH4]+

1019.944593

263.2

[M+K]+

1040.873928

267.3

[M+H-H2O]+

984.908030

237.2

[M+HCOO]-

1046.908971

264.6

[M+CH3COO]-

1060.924621

275.0

[M+Na-2H]-

1022.885436

254.1

[M]+

1001.91022142

246.6

[M]-

1001.91131858

246.6

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

10:10 perfluorophosphinate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe