CID 2734270

2,4,5-trifluoro-3-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H3F3O3
SMILES
C1=C(C(=C(C(=C1F)F)O)F)C(=O)O
InChI
InChI=1S/C7H3F3O3/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1,11H,(H,12,13)
InChIKey
YYAFUGSJSHXYNK-UHFFFAOYSA-N
Compound name
2,4,5-trifluoro-3-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

203
Patents

192.00343 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.01071 129.5
[M+Na]+ 214.99265 140.7
[M-H]- 190.99615 128.0
[M+NH4]+ 210.03725 148.4
[M+K]+ 230.96659 137.7
[M+H-H2O]+ 175.00069 122.5
[M+HCOO]- 237.00163 148.4
[M+CH3COO]- 251.01728 179.3
[M+Na-2H]- 212.97810 132.1
[M]+ 192.00288 126.0
[M]- 192.00398 126.0
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