CID 10889039

2-hydroxy-3-(trifluoromethyl)benzoic acid

Structural Information

Molecular Formula
C8H5F3O3
SMILES
C1=CC(=C(C(=C1)C(F)(F)F)O)C(=O)O
InChI
InChI=1S/C8H5F3O3/c9-8(10,11)5-3-1-2-4(6(5)12)7(13)14/h1-3,12H,(H,13,14)
InChIKey
OLLHFGFVHWLQJO-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(trifluoromethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

206.01907 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02635 135.5
[M+Na]+ 229.00829 144.9
[M-H]- 205.01179 133.4
[M+NH4]+ 224.05289 153.4
[M+K]+ 244.98223 142.1
[M+H-H2O]+ 189.01633 128.5
[M+HCOO]- 251.01727 152.5
[M+CH3COO]- 265.03292 179.5
[M+Na-2H]- 226.99374 139.7
[M]+ 206.01852 130.9
[M]- 206.01962 130.9
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