CID 271286

20443-38-3

Structural Information

Molecular Formula

C₈H₆Cl₂N₂

SMILES

C1=CC2=C(C=C1Cl)NC(=N2)CCl

InChI

InChI=1S/C8H6Cl2N2/c9-4-8-11-6-2-1-5(10)3-7(6)12-8/h1-3H,4H2,(H,11,12)

InChIKey

CJNALUZDTPETCS-UHFFFAOYSA-N

Compound name

6-chloro-2-(chloromethyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 199.9908 Da
Monoisotopic Mass: 2.9
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]+	200.99808	135.7
[M+Na]+	222.98002	151.8
[M+NH4]+	218.02462	145.3
[M+K]+	238.95396	145.0
[M-H]-	198.98352	137.2
[M+Na-2H]-	220.96547	143.2
[M]+	199.99025	139.1
[M]-	199.99135	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe