CID 3007428

108664-56-8

Structural Information

Molecular Formula
C14H12ClNO2
SMILES
CC(C(=O)C1=CC=C(C=C1)Cl)N2C=CC=CC2=O
InChI
InChI=1S/C14H12ClNO2/c1-10(16-9-3-2-4-13(16)17)14(18)11-5-7-12(15)8-6-11/h2-10H,1H3
InChIKey
YRMFNXUODYOOAU-UHFFFAOYSA-N
Compound name
1-[1-(4-chlorophenyl)-1-oxopropan-2-yl]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.05566 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06294 153.8
[M+Na]+ 284.04488 163.0
[M-H]- 260.04838 159.4
[M+NH4]+ 279.08948 169.9
[M+K]+ 300.01882 158.0
[M+H-H2O]+ 244.05292 146.5
[M+HCOO]- 306.05386 171.1
[M+CH3COO]- 320.06951 194.9
[M+Na-2H]- 282.03033 157.8
[M]+ 261.05511 156.6
[M]- 261.05621 156.6
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.