CID 15122078

2,3,4,5,6-pentafluorobenzylphosphonic acid

Structural Information

Molecular Formula
C7H4F5O3P
SMILES
C(C1=C(C(=C(C(=C1F)F)F)F)F)P(=O)(O)O
InChI
InChI=1S/C7H4F5O3P/c8-3-2(1-16(13,14)15)4(9)6(11)7(12)5(3)10/h1H2,(H2,13,14,15)
InChIKey
NTUQIHXUWNQRPZ-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentafluorophenyl)methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

261.9818 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.98908 147.0
[M+Na]+ 284.97102 159.0
[M-H]- 260.97452 141.9
[M+NH4]+ 280.01562 163.7
[M+K]+ 300.94496 155.1
[M+H-H2O]+ 244.97906 136.1
[M+HCOO]- 306.98000 167.9
[M+CH3COO]- 320.99565 192.8
[M+Na-2H]- 282.95647 145.9
[M]+ 261.98125 142.6
[M]- 261.98235 142.6
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