CID 10943636

3-hydroxy-4-(trifluoromethyl)benzoic acid

Structural Information

Molecular Formula
C8H5F3O3
SMILES
C1=CC(=C(C=C1C(=O)O)O)C(F)(F)F
InChI
InChI=1S/C8H5F3O3/c9-8(10,11)5-2-1-4(7(13)14)3-6(5)12/h1-3,12H,(H,13,14)
InChIKey
ZZSMIPAVTZJPHQ-UHFFFAOYSA-N
Compound name
3-hydroxy-4-(trifluoromethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

84
Patents

206.01907 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02635 144.7
[M+Na]+ 229.00829 152.8
[M+NH4]+ 224.05289 149.0
[M+K]+ 244.98223 149.6
[M-H]- 205.01179 139.8
[M+Na-2H]- 226.99374 147.1
[M]+ 206.01852 144.0
[M]- 206.01962 144.0
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