CID 12179658

851341-52-1

Structural Information

Molecular Formula

C₈H₅F₃O₄

SMILES

C1=CC(=C(C=C1OC(F)(F)F)O)C(=O)O

InChI

InChI=1S/C8H5F3O4/c9-8(10,11)15-4-1-2-5(7(13)14)6(12)3-4/h1-3,12H,(H,13,14)

InChIKey

SJLOQRYZOOOBKV-UHFFFAOYSA-N

Compound name

2-hydroxy-4-(trifluoromethoxy)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 222.01399 Da
Monoisotopic Mass: 3.2
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]+	223.02127	147.4
[M+Na]+	245.00321	155.1
[M+NH4]+	240.04781	151.2
[M+K]+	260.97715	152.3
[M-H]-	221.00671	142.0
[M+Na-2H]-	242.98866	149.4
[M]+	222.01344	146.4
[M]-	222.01454	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe