CID 14169491

Bis(nonafluorobutyl)phosphinic acid

Structural Information

Molecular Formula
C8HF18O2P
SMILES
C(C(C(F)(F)P(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O)(F)F)(C(F)(F)F)(F)F
InChI
InChI=1S/C8HF18O2P/c9-1(10,5(17,18)19)3(13,14)7(23,24)29(27,28)8(25,26)4(15,16)2(11,12)6(20,21)22/h(H,27,28)
InChIKey
WAZIDHPTVNFDQG-UHFFFAOYSA-N
Compound name
bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

67
Patents

501.9427 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.94998 167.3
[M+Na]+ 524.93192 171.6
[M-H]- 500.93542 175.5
[M+NH4]+ 519.97652 176.4
[M+K]+ 540.90586 178.8
[M+H-H2O]+ 484.93996 149.9
[M+HCOO]- 546.94090 188.5
[M+CH3COO]- 560.95655 234.6
[M+Na-2H]- 522.91737 165.1
[M]+ 501.94215 164.2
[M]- 501.94325 164.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe