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

20
Patents

211.98502 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.992296 137.6
[M+Na]+ 234.974238 148.3
[M-H]- 210.977744 134.7
[M+NH4]+ 230.018843 156.0
[M+K]+ 250.948178 145.3
[M+H-H2O]+ 194.982280 128.4
[M+HCOO]- 256.983221 161.2
[M+CH3COO]- 270.998871 181.4
[M+Na-2H]- 232.959686 139.5
[M]+ 211.98447142 134.7
[M]- 211.98556858 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