CID 516032

5955-72-6

Structural Information

Molecular Formula

C₇H₄ClN₃O₂

SMILES

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

InChI

InChI=1S/C7H4ClN3O2/c8-7-9-5-2-1-4(11(12)13)3-6(5)10-7/h1-3H,(H,9,10)

InChIKey

GWSMACGSFHRVFA-UHFFFAOYSA-N

Compound name

2-chloro-6-nitro-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 209
Patents: 196.9992 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]+	198.00648	132.3
[M+Na]+	219.98842	147.6
[M+NH4]+	215.03302	140.9
[M+K]+	235.96236	145.4
[M-H]-	195.99192	134.5
[M+Na-2H]-	217.97387	139.1
[M]+	196.99865	135.2
[M]-	196.99975	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe