CID 11117203

2-hydroxy-5-(trifluoromethyl)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

427
Patents

206.01907 Da
Monoisotopic Mass

3.3
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

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