CID 5220052

6232-92-4

Structural Information

Molecular Formula

C₇H₆N₄O₂

SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)N

InChI

InChI=1S/C7H6N4O2/c8-7-9-5-2-1-4(11(12)13)3-6(5)10-7/h1-3H,(H3,8,9,10)

InChIKey

HSEDDANFWUMVCY-UHFFFAOYSA-N

Compound name

6-nitro-1H-benzimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 119
Patents: 178.04907 Da
Monoisotopic Mass: 1.1
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]+	179.05635	129.9
[M+Na]+	201.03829	142.7
[M+NH4]+	196.08289	137.6
[M+K]+	217.01223	142.3
[M-H]-	177.04179	132.2
[M+Na-2H]-	199.02374	135.9
[M]+	178.04852	132.0
[M]-	178.04962	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe