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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	288.078596	162.3
[M+Na]+	310.060538	171.0
[M-H]-	286.064044	167.6
[M+NH4]+	305.105143	177.3
[M+K]+	326.034478	165.0
[M+H-H2O]+	270.068580	154.7
[M+HCOO]-	332.069521	179.1
[M+CH3COO]-	346.085171	199.3
[M+Na-2H]-	308.045986	165.2
[M]+	287.07077142	165.0
[M]-	287.07186858	165.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.