CID 331775

6478-73-5

Structural Information

Molecular Formula

C₇H₄Cl₂N₂

SMILES

C1=C2C(=CC(=C1Cl)Cl)N=CN2

InChI

InChI=1S/C7H4Cl2N2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,(H,10,11)

InChIKey

IPRDZAMUYMOJTA-UHFFFAOYSA-N

Compound name

5,6-dichloro-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 34
References: 1080
Patents: 185.97516 Da
Monoisotopic Mass: 2.7
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]+	186.98244	131.1
[M+Na]+	208.96438	147.4
[M+NH4]+	204.00898	140.9
[M+K]+	224.93832	140.8
[M-H]-	184.96788	132.7
[M+Na-2H]-	206.94983	138.9
[M]+	185.97461	134.5
[M]-	185.97571	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe