CID 6450932

104941-03-9

Structural Information

Molecular Formula
C16H14ClNO2
SMILES
CC/C=C(/C(=O)C1=CC=C(C=C1)Cl)\N2C=CC=CC2=O
InChI
InChI=1S/C16H14ClNO2/c1-2-5-14(18-11-4-3-6-15(18)19)16(20)12-7-9-13(17)10-8-12/h3-11H,2H2,1H3/b14-5-
InChIKey
PFEHQAAFGGBOEP-RZNTYIFUSA-N
Compound name
1-[(Z)-1-(4-chlorophenyl)-1-oxopent-2-en-2-yl]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.07132 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.07860 162.3
[M+Na]+ 310.06054 171.0
[M-H]- 286.06404 167.6
[M+NH4]+ 305.10514 177.3
[M+K]+ 326.03448 165.0
[M+H-H2O]+ 270.06858 154.7
[M+HCOO]- 332.06952 179.1
[M+CH3COO]- 346.08517 199.3
[M+Na-2H]- 308.04599 165.2
[M]+ 287.07077 165.0
[M]- 287.07187 165.0
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

No patent data available for this compound.