CID 2734270

3-hydroxy-2,4,5-trifluorobenzoic acid

Structural Information

Molecular Formula

C₇H₃F₃O₃

SMILES

C1=C(C(=C(C(=C1F)F)O)F)C(=O)O

InChI

InChI=1S/C7H3F3O3/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1,11H,(H,12,13)

InChIKey

YYAFUGSJSHXYNK-UHFFFAOYSA-N

Compound name

2,4,5-trifluoro-3-hydroxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 183
Patents: 192.00343 Da
Monoisotopic Mass: 1.4
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]+	193.01071	140.7
[M+Na]+	214.99265	149.9
[M+NH4]+	210.03725	145.4
[M+K]+	230.96659	146.1
[M-H]-	190.99615	136.6
[M+Na-2H]-	212.97810	143.0
[M]+	192.00288	140.4
[M]-	192.00398	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe