CID 58065696

1240610-45-0

Structural Information

Molecular Formula

C₈H₆BrClN₂

SMILES

CN1C2=C(C(=CC=C2)Br)N=C1Cl

InChI

InChI=1S/C8H6BrClN2/c1-12-6-4-2-3-5(9)7(6)11-8(12)10/h2-4H,1H3

InChIKey

RAIXLQWLPQPVME-UHFFFAOYSA-N

Compound name

4-bromo-2-chloro-1-methylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 243.94029 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]+	244.94757	139.3
[M+Na]+	266.92951	156.3
[M-H]-	242.93301	145.1
[M+NH4]+	261.97411	162.4
[M+K]+	282.90345	143.4
[M+H-H2O]+	226.93755	139.9
[M+HCOO]-	288.93849	156.9
[M+CH3COO]-	302.95414	156.0
[M+Na-2H]-	264.91496	148.0
[M]+	243.93974	162.2
[M]-	243.94084	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe