PubChemLite - 610800-34-5 (C14HF30O2P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C14HF30O2P/c15-1(16,3(19,20)7(27,28)11(35,36)37)2(17,18)5(23,24)9(31,32)13(41,42)47(45,46)14(43,44)10(33,34)6(25,26)4(21,22)8(29,30)12(38,39)40/h(H,45,46)

InChIKey

CQORQFOHIKVJET-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)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]+	802.93078	218.8
[M+Na]+	824.91272	220.2
[M-H]-	800.91622	231.7
[M+NH4]+	819.95732	230.6
[M+K]+	840.88666	234.7
[M+H-H2O]+	784.92076	200.8
[M+HCOO]-	846.92170	235.0
[M+CH3COO]-	860.93735	267.9
[M+Na-2H]-	822.89817	219.1
[M]+	801.92295	215.5
[M]-	801.92405	215.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

802.93078

218.8

[M+Na]+

824.91272

220.2

[M-H]-

800.91622

231.7

[M+NH4]+

819.95732

230.6

[M+K]+

840.88666

234.7

[M+H-H2O]+

784.92076

200.8

[M+HCOO]-

846.92170

235.0

[M+CH3COO]-

860.93735

267.9

[M+Na-2H]-

822.89817

219.1

[M]+

801.92295

215.5

[M]-

801.92405

215.5

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

610800-34-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe