CID 108653

54986-47-9

Structural Information

Molecular Formula
C13H9ClN2O
SMILES
C1=CC=C(C=C1)N2C3=C(C=CC(=C3)Cl)NC2=O
InChI
InChI=1S/C13H9ClN2O/c14-9-6-7-11-12(8-9)16(13(17)15-11)10-4-2-1-3-5-10/h1-8H,(H,15,17)
InChIKey
UCBSMOSFCAQPAI-UHFFFAOYSA-N
Compound name
5-chloro-3-phenyl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

244.04034 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.04762 150.1
[M+Na]+ 267.02956 163.0
[M-H]- 243.03306 154.8
[M+NH4]+ 262.07416 168.3
[M+K]+ 283.00350 155.6
[M+H-H2O]+ 227.03760 142.7
[M+HCOO]- 289.03854 168.4
[M+CH3COO]- 303.05419 163.6
[M+Na-2H]- 265.01501 156.7
[M]+ 244.03979 153.0
[M]- 244.04089 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe