CID 71651963

1248548-54-0

Structural Information

Molecular Formula

C₇H₄BrClN₂

SMILES

C1=CC2=C(C(=C1)Br)N=C(N2)Cl

InChI

InChI=1S/C7H4BrClN2/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H,(H,10,11)

InChIKey

SFLGDRWZKXLGMH-UHFFFAOYSA-N

Compound name

4-bromo-2-chloro-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 229.92464 Da
Monoisotopic Mass: 3.1
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]+	230.93192	135.5
[M+Na]+	252.91386	151.6
[M-H]-	228.91736	139.8
[M+NH4]+	247.95846	158.2
[M+K]+	268.88780	138.1
[M+H-H2O]+	212.92190	136.3
[M+HCOO]-	274.92284	152.0
[M+CH3COO]-	288.93849	151.6
[M+Na-2H]-	250.89931	144.9
[M]+	229.92409	156.0
[M]-	229.92519	156.0

Literature stripe

literature stripe

Patent stripe

patents stripe