CID 3007399

108664-33-1

Structural Information

Molecular Formula
C16H11ClN2O2
SMILES
C=C(C(=O)C1=CC=C(C=C1)Cl)N2C3=CC=CC=C3NC2=O
InChI
InChI=1S/C16H11ClN2O2/c1-10(15(20)11-6-8-12(17)9-7-11)19-14-5-3-2-4-13(14)18-16(19)21/h2-9H,1H2,(H,18,21)
InChIKey
XEWYGWIYNKULLM-UHFFFAOYSA-N
Compound name
3-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.0509 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05818 164.8
[M+Na]+ 321.04012 176.0
[M-H]- 297.04362 169.4
[M+NH4]+ 316.08472 180.2
[M+K]+ 337.01406 168.4
[M+H-H2O]+ 281.04816 157.1
[M+HCOO]- 343.04910 180.6
[M+CH3COO]- 357.06475 176.6
[M+Na-2H]- 319.02557 167.6
[M]+ 298.05035 167.6
[M]- 298.05145 167.6
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

No patent data available for this compound.