CID 20369169

1360953-55-4

Structural Information

Molecular Formula

C₇H₄BrClN₂

SMILES

C1=C2C(=CC(=C1Cl)Br)N=CN2

InChI

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

InChIKey

UZPKKTKUNKNWBS-UHFFFAOYSA-N

Compound name

5-bromo-6-chloro-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 229.92464 Da
Monoisotopic Mass: 2.8
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]+	230.931916	135.5
[M+Na]+	252.913858	151.6
[M-H]-	228.917364	139.8
[M+NH4]+	247.958463	158.2
[M+K]+	268.887798	138.1
[M+H-H2O]+	212.921900	136.3
[M+HCOO]-	274.922841	152.0
[M+CH3COO]-	288.938491	151.6
[M+Na-2H]-	250.899306	144.9
[M]+	229.92409142	156.0
[M]-	229.92518858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe