CID 14042943

15965-71-6

Structural Information

Molecular Formula

C₈H₇ClN₂O

SMILES

CN1C2=C(C=C(C=C2)Cl)NC1=O

InChI

InChI=1S/C8H7ClN2O/c1-11-7-3-2-5(9)4-6(7)10-8(11)12/h2-4H,1H3,(H,10,12)

InChIKey

ZABAVTWKCRNJIG-UHFFFAOYSA-N

Compound name

6-chloro-3-methyl-1H-benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 30
Patents: 182.02469 Da
Monoisotopic Mass: 1.4
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]+	183.031966	132.5
[M+Na]+	205.013908	146.2
[M-H]-	181.017414	134.3
[M+NH4]+	200.058513	153.7
[M+K]+	220.987848	140.7
[M+H-H2O]+	165.021950	127.0
[M+HCOO]-	227.022891	151.1
[M+CH3COO]-	241.038541	147.2
[M+Na-2H]-	202.999356	139.6
[M]+	182.02414142	136.0
[M]-	182.02523858	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe