CID 649443

Mls000071723

Structural Information

Molecular Formula

C₁₃H₉ClN₂O

SMILES

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)Cl)NC2=O

InChI

InChI=1S/C13H9ClN2O/c14-9-6-7-12-11(8-9)15-13(17)16(12)10-4-2-1-3-5-10/h1-8H,(H,15,17)

InChIKey

RMPWZHBFXOLXFG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 16
Patents: 244.04034 Da
Monoisotopic Mass: 2.9
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]+	245.04762	149.9
[M+Na]+	267.02956	167.5
[M+NH4]+	262.07416	159.2
[M+K]+	283.00350	160.4
[M-H]-	243.03306	153.8
[M+Na-2H]-	265.01501	159.6
[M]+	244.03979	154.0
[M]-	244.04089	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe