CID 3061790

79759-64-1

Structural Information

Molecular Formula

C₁₃H₁₅ClN₂O

SMILES

C1CCC(CC1)N2C3=C(C=CC(=C3)Cl)NC2=O

InChI

InChI=1S/C13H15ClN2O/c14-9-6-7-11-12(8-9)16(13(17)15-11)10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,15,17)

InChIKey

CQMLFUYGWQJYHM-UHFFFAOYSA-N

Compound name

5-chloro-3-cyclohexyl-1H-benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 250.0873 Da
Monoisotopic Mass: 3.2
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]+	251.09458	154.6
[M+Na]+	273.07652	164.3
[M-H]-	249.08002	158.1
[M+NH4]+	268.12112	172.2
[M+K]+	289.05046	157.5
[M+H-H2O]+	233.08456	147.0
[M+HCOO]-	295.08550	168.5
[M+CH3COO]-	309.10115	166.3
[M+Na-2H]-	271.06197	158.0
[M]+	250.08675	153.1
[M]-	250.08785	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe