CID 2776991

2,3,5-trifluorobenzoic acid

Structural Information

Molecular Formula
C7H3F3O2
SMILES
C1=C(C=C(C(=C1C(=O)O)F)F)F
InChI
InChI=1S/C7H3F3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
InChIKey
CPZROMDDCPPFOO-UHFFFAOYSA-N
Compound name
2,3,5-trifluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

452
Patents

176.00851 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.01579 137.3
[M+Na]+ 198.99773 147.2
[M+NH4]+ 194.04233 142.9
[M+K]+ 214.97167 142.4
[M-H]- 175.00123 134.1
[M+Na-2H]- 196.98318 140.9
[M]+ 176.00796 137.4
[M]- 176.00906 137.4
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