CID 118858450

5-bromo-2,7-dichloro-1h-1,3-benzimidazole

Structural Information

Molecular Formula

C₇H₃BrCl₂N₂

SMILES

C1=C(C=C(C2=C1NC(=N2)Cl)Cl)Br

InChI

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

InChIKey

PQBCZKGTVBCOHV-UHFFFAOYSA-N

Compound name

6-bromo-2,4-dichloro-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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

No literature data available for this compound.

Patent stripe

patents stripe