CID 58262213

(3,4,5-trifluorophenyl)phosphonic acid

Structural Information

Molecular Formula
C6H4F3O3P
SMILES
C1=C(C=C(C(=C1F)F)F)P(=O)(O)O
InChI
InChI=1S/C6H4F3O3P/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,(H2,10,11,12)
InChIKey
OIVKSVMLPFPWQO-UHFFFAOYSA-N
Compound name
(3,4,5-trifluorophenyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

211.98502 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99230 137.6
[M+Na]+ 234.97424 148.3
[M-H]- 210.97774 134.7
[M+NH4]+ 230.01884 156.0
[M+K]+ 250.94818 145.3
[M+H-H2O]+ 194.98228 128.4
[M+HCOO]- 256.98322 161.2
[M+CH3COO]- 270.99887 181.4
[M+Na-2H]- 232.95969 139.5
[M]+ 211.98447 134.7
[M]- 211.98557 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe