CID 19612060

2-amino-6-bromo-3-chlorobenzoic acid

Structural Information

Molecular Formula

C₇H₅BrClNO₂

SMILES

C1=CC(=C(C(=C1Cl)N)C(=O)O)Br

InChI

InChI=1S/C7H5BrClNO2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,10H2,(H,11,12)

InChIKey

TZHCKHYMRRCAKE-UHFFFAOYSA-N

Compound name

2-amino-6-bromo-3-chlorobenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 248.91922 Da
Monoisotopic Mass: 2.6
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]+	249.92650	140.9
[M+Na]+	271.90844	144.4
[M+NH4]+	266.95304	145.4
[M+K]+	287.88238	145.1
[M-H]-	247.91194	141.1
[M+Na-2H]-	269.89389	143.6
[M]+	248.91867	140.4
[M]-	248.91977	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe