CID 11615568

683240-76-8

Structural Information

Molecular Formula

C₇H₄BrClN₂

SMILES

C1=CC2=C(C=C1Br)NC(=N2)Cl

InChI

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

InChIKey

QVVZVWKGWGFUTA-UHFFFAOYSA-N

Compound name

6-bromo-2-chloro-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 155
Patents: 229.92464 Da
Monoisotopic Mass: 3.3
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	140.7
[M+Na]+	252.91386	146.5
[M+NH4]+	247.95846	146.5
[M+K]+	268.88780	146.5
[M-H]-	228.91736	140.9
[M+Na-2H]-	250.89931	144.7
[M]+	229.92409	140.7
[M]-	229.92519	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe