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

219
Patents

206.01907 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.026346 135.5
[M+Na]+ 229.008288 144.9
[M-H]- 205.011794 133.4
[M+NH4]+ 224.052893 153.4
[M+K]+ 244.982228 142.1
[M+H-H2O]+ 189.016330 128.5
[M+HCOO]- 251.017271 152.5
[M+CH3COO]- 265.032921 179.5
[M+Na-2H]- 226.993736 139.7
[M]+ 206.01852142 130.9
[M]- 206.01961858 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