CID 164578

328-90-5

Structural Information

Molecular Formula

C₈H₅F₃O₃

SMILES

C1=CC(=C(C=C1C(F)(F)F)O)C(=O)O

InChI

InChI=1S/C8H5F3O3/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3,12H,(H,13,14)

InChIKey

XMLFPUBZFSJWCN-UHFFFAOYSA-N

Compound name

2-hydroxy-4-(trifluoromethyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 59
References: 965
Patents: 206.01907 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe