PubChemLite - Schembl7092374 (C14HF30O2P)

Structural Information

Molecular Formula

SMILES

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

InChI

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

InChIKey

JXQXAXAJBUVUTG-UHFFFAOYSA-N

Compound name

bis[1,1,2,2,3,3,4,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexyl]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	219.1
[M+Na]+	824.91272	220.6
[M-H]-	800.91622	232.1
[M+NH4]+	819.95732	231.0
[M+K]+	840.88666	234.9
[M+H-H2O]+	784.92076	201.1
[M+HCOO]-	846.92170	235.4
[M+CH3COO]-	860.93735	267.1
[M+Na-2H]-	822.89817	219.4
[M]+	801.92295	215.7
[M]-	801.92405	215.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

802.93078

219.1

[M+Na]+

824.91272

220.6

[M-H]-

800.91622

232.1

[M+NH4]+

819.95732

231.0

[M+K]+

840.88666

234.9

[M+H-H2O]+

784.92076

201.1

[M+HCOO]-

846.92170

235.4

[M+CH3COO]-

860.93735

267.1

[M+Na-2H]-

822.89817

219.4

[M]+

801.92295

215.7

[M]-

801.92405

215.7

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

Schembl7092374

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe