CID 469436

30486-76-1

Structural Information

Molecular Formula

C₇H₅Cl₂N₃

SMILES

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

InChI

InChI=1S/C7H5Cl2N3/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H3,10,11,12)

InChIKey

DAONLTNVFHRQFO-UHFFFAOYSA-N

Compound name

4,6-dichloro-1H-benzimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 200.98605 Da
Monoisotopic Mass: 2.4
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]+	201.99333	135.0
[M+Na]+	223.97527	150.1
[M+NH4]+	219.01987	144.2
[M+K]+	239.94921	144.4
[M-H]-	199.97877	136.7
[M+Na-2H]-	221.96072	141.8
[M]+	200.98550	138.2
[M]-	200.98660	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe