CID 466017

142356-40-9

Structural Information

Molecular Formula

C₇H₃BrCl₂N₂

SMILES

C1=C2C(=CC(=C1Cl)Cl)N=C(N2)Br

InChI

InChI=1S/C7H3BrCl2N2/c8-7-11-5-1-3(9)4(10)2-6(5)12-7/h1-2H,(H,11,12)

InChIKey

KEZMBKQTCPNSOF-UHFFFAOYSA-N

Compound name

2-bromo-5,6-dichloro-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 207
Patents: 263.88568 Da
Monoisotopic Mass: 3.8
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]+	264.89296	140.1
[M+Na]+	286.87490	157.4
[M-H]-	262.87840	143.9
[M+NH4]+	281.91950	162.0
[M+K]+	302.84884	142.7
[M+H-H2O]+	246.88294	141.3
[M+HCOO]-	308.88388	151.5
[M+CH3COO]-	322.89953	155.7
[M+Na-2H]-	284.86035	148.1
[M]+	263.88513	161.5
[M]-	263.88623	161.5

Literature stripe

literature stripe

Patent stripe

patents stripe