CID 223131

2034-23-3

Structural Information

Molecular Formula

C₇H₅ClN₂O

SMILES

C1=CC2=C(C=C1Cl)NC(=O)N2

InChI

InChI=1S/C7H5ClN2O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)

InChIKey

QIGIQLYKEULMQQ-UHFFFAOYSA-N

Compound name

5-chloro-1,3-dihydrobenzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 155
Patents: 168.00903 Da
Monoisotopic Mass: 1.7
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]+	169.01631	128.1
[M+Na]+	190.99825	143.0
[M+NH4]+	186.04285	136.7
[M+K]+	206.97219	137.9
[M-H]-	167.00175	128.6
[M+Na-2H]-	188.98370	134.8
[M]+	168.00848	130.5
[M]-	168.00958	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe