CID 3061763

Brn 5566774

Structural Information

Molecular Formula
C16H13ClN2O
SMILES
C=CCN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C16H13ClN2O/c1-2-10-18-14-9-8-12(17)11-15(14)19(16(18)20)13-6-4-3-5-7-13/h2-9,11H,1,10H2
InChIKey
AJKXDEAURNDLBL-UHFFFAOYSA-N
Compound name
5-chloro-3-phenyl-1-prop-2-enylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.07166 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.078936 163.4
[M+Na]+ 307.060878 176.5
[M-H]- 283.064384 169.3
[M+NH4]+ 302.105483 180.8
[M+K]+ 323.034818 168.7
[M+H-H2O]+ 267.068920 155.2
[M+HCOO]- 329.069861 182.2
[M+CH3COO]- 343.085511 176.5
[M+Na-2H]- 305.046326 167.9
[M]+ 284.07111142 168.8
[M]- 284.07220858 168.8
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.