CID 2778508

2-amino-6-(trifluoromethyl)benzoic acid

Structural Information

Molecular Formula

C₈H₆F₃NO₂

SMILES

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

InChI

InChI=1S/C8H6F3NO2/c9-8(10,11)4-2-1-3-5(12)6(4)7(13)14/h1-3H,12H2,(H,13,14)

InChIKey

XZBQDBWIRHIZGJ-UHFFFAOYSA-N

Compound name

2-amino-6-(trifluoromethyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 320
Patents: 205.03506 Da
Monoisotopic Mass: 2.2
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]+	206.04234	143.3
[M+Na]+	228.02428	151.0
[M+NH4]+	223.06888	147.9
[M+K]+	243.99822	147.6
[M-H]-	204.02778	139.5
[M+Na-2H]-	226.00973	146.1
[M]+	205.03451	142.8
[M]-	205.03561	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe