CID 38349

39811-03-5

Structural Information

Molecular Formula

C₈H₅Cl₃N₂

SMILES

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

InChI

InChI=1S/C8H5Cl3N2/c9-3-8-12-6-1-4(10)5(11)2-7(6)13-8/h1-2H,3H2,(H,12,13)

InChIKey

IUNRBKGPVGKLNG-UHFFFAOYSA-N

Compound name

5,6-dichloro-2-(chloromethyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 233.95183 Da
Monoisotopic Mass: 3.5
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]+	234.95911	143.2
[M+Na]+	256.94105	156.4
[M-H]-	232.94455	142.5
[M+NH4]+	251.98565	162.2
[M+K]+	272.91499	149.0
[M+H-H2O]+	216.94909	137.9
[M+HCOO]-	278.95003	150.2
[M+CH3COO]-	292.96568	155.5
[M+Na-2H]-	254.92650	147.9
[M]+	233.95128	146.4
[M]-	233.95238	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe