CID 3061797

79759-71-0

Structural Information

Molecular Formula
C14H11ClN2O
SMILES
CC1=CC=CC=C1N2C3=C(C=CC(=C3)Cl)NC2=O
InChI
InChI=1S/C14H11ClN2O/c1-9-4-2-3-5-12(9)17-13-8-10(15)6-7-11(13)16-14(17)18/h2-8H,1H3,(H,16,18)
InChIKey
ASFOKEILHOHFFD-UHFFFAOYSA-N
Compound name
5-chloro-3-(2-methylphenyl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.056 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06328 155.0
[M+Na]+ 281.04522 168.4
[M-H]- 257.04872 160.0
[M+NH4]+ 276.08982 172.9
[M+K]+ 297.01916 160.7
[M+H-H2O]+ 241.05326 147.7
[M+HCOO]- 303.05420 172.9
[M+CH3COO]- 317.06985 168.4
[M+Na-2H]- 279.03067 160.3
[M]+ 258.05545 158.7
[M]- 258.05655 158.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.