CID 12670619

[4-(trifluoromethyl)phenyl]phosphonic acid

Structural Information

Molecular Formula
C7H6F3O3P
SMILES
C1=CC(=CC=C1C(F)(F)F)P(=O)(O)O
InChI
InChI=1S/C7H6F3O3P/c8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h1-4H,(H2,11,12,13)
InChIKey
HJMPWNMEAAWAIW-UHFFFAOYSA-N
Compound name
[4-(trifluoromethyl)phenyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

226.00067 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00795 144.4
[M+Na]+ 248.98989 153.3
[M-H]- 224.99339 140.9
[M+NH4]+ 244.03449 161.8
[M+K]+ 264.96383 150.5
[M+H-H2O]+ 208.99793 135.2
[M+HCOO]- 270.99887 166.1
[M+CH3COO]- 285.01452 181.8
[M+Na-2H]- 246.97534 148.0
[M]+ 226.00012 140.4
[M]- 226.00122 140.4
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