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]+ 285.07894 163.4
[M+Na]+ 307.06088 176.5
[M-H]- 283.06438 169.3
[M+NH4]+ 302.10548 180.8
[M+K]+ 323.03482 168.7
[M+H-H2O]+ 267.06892 155.2
[M+HCOO]- 329.06986 182.2
[M+CH3COO]- 343.08551 176.5
[M+Na-2H]- 305.04633 167.9
[M]+ 284.07111 168.8
[M]- 284.07221 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.