CID 9881235

146780-09-8

Structural Information

Molecular Formula
C8H8F3O3P
SMILES
C1=CC(=CC(=C1)C(F)(F)F)CP(=O)(O)O
InChI
InChI=1S/C8H8F3O3P/c9-8(10,11)7-3-1-2-6(4-7)5-15(12,13)14/h1-4H,5H2,(H2,12,13,14)
InChIKey
TVXYXFHWFHNWTJ-UHFFFAOYSA-N
Compound name
[3-(trifluoromethyl)phenyl]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

240.01631 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02359 149.3
[M+Na]+ 263.00553 157.7
[M-H]- 239.00903 145.6
[M+NH4]+ 258.05013 166.1
[M+K]+ 278.97947 154.7
[M+H-H2O]+ 223.01357 139.8
[M+HCOO]- 285.01451 170.6
[M+CH3COO]- 299.03016 184.9
[M+Na-2H]- 260.99098 152.4
[M]+ 240.01576 145.6
[M]- 240.01686 145.6
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