CID 103303125

1702443-94-4

Structural Information

Molecular Formula
C8H3F3O3
SMILES
C1=C(C(=CC(=C1F)F)F)C(=O)C(=O)O
InChI
InChI=1S/C8H3F3O3/c9-4-2-6(11)5(10)1-3(4)7(12)8(13)14/h1-2H,(H,13,14)
InChIKey
HQQLBQOJXWZVBX-UHFFFAOYSA-N
Compound name
2-oxo-2-(2,4,5-trifluorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

204.00343 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.01071 132.5
[M+Na]+ 226.99265 142.8
[M-H]- 202.99615 132.0
[M+NH4]+ 222.03725 151.1
[M+K]+ 242.96659 140.4
[M+H-H2O]+ 187.00069 125.0
[M+HCOO]- 249.00163 151.8
[M+CH3COO]- 263.01728 183.6
[M+Na-2H]- 224.97810 134.6
[M]+ 204.00288 129.5
[M]- 204.00398 129.5
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