PubChemLite - Schembl7095111 (C18HF38O2P)

Structural Information

Molecular Formula

SMILES

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

InChI

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

InChIKey

GYQQVZDXFCHAMF-UHFFFAOYSA-N

Compound name

bis[1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-hexadecafluoro-7-(trifluoromethyl)octyl]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]+	1002.9180	252.4
[M+Na]+	1024.9000	252.9
[M-H]-	1000.9035	265.7
[M+NH4]+	1019.9446	263.3
[M+K]+	1040.8739	267.4
[M+H-H2O]+	984.90803	237.3
[M+HCOO]-	1046.9090	264.8
[M+CH3COO]-	1060.9246	274.5
[M+Na-2H]-	1022.8854	254.2
[M]+	1001.9102	246.6
[M]-	1001.9113	246.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1002.9180

252.4

[M+Na]+

1024.9000

252.9

[M-H]-

1000.9035

265.7

[M+NH4]+

1019.9446

263.3

[M+K]+

1040.8739

267.4

[M+H-H2O]+

984.90803

237.3

[M+HCOO]-

1046.9090

264.8

[M+CH3COO]-

1060.9246

274.5

[M+Na-2H]-

1022.8854

254.2

[M]+

1001.9102

246.6

[M]-

1001.9113

246.6

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

Schembl7095111

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe