CID 612073

30486-79-4

Structural Information

Molecular Formula

C₈H₇Cl₂N₃

SMILES

CN1C2=CC(=C(C=C2N=C1N)Cl)Cl

InChI

InChI=1S/C8H7Cl2N3/c1-13-7-3-5(10)4(9)2-6(7)12-8(13)11/h2-3H,1H3,(H2,11,12)

InChIKey

ORDJDFMGHFRKJS-UHFFFAOYSA-N

Compound name

5,6-dichloro-1-methylbenzimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 215.00171 Da
Monoisotopic Mass: 3.0
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]+	216.00899	141.9
[M+Na]+	237.99093	156.0
[M-H]-	213.99443	143.8
[M+NH4]+	233.03553	162.4
[M+K]+	253.96487	149.7
[M+H-H2O]+	197.99897	136.3
[M+HCOO]-	259.99991	156.6
[M+CH3COO]-	274.01556	155.8
[M+Na-2H]-	235.97638	147.1
[M]+	215.00116	146.0
[M]-	215.00226	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe