CID 5020140

134600-02-5

Structural Information

Molecular Formula
C13H9ClN2O
SMILES
CC1=C(C(=O)NC(=C1)C2=CC=C(C=C2)Cl)C#N
InChI
InChI=1S/C13H9ClN2O/c1-8-6-12(16-13(17)11(8)7-15)9-2-4-10(14)5-3-9/h2-6H,1H3,(H,16,17)
InChIKey
QLPLXCVOLQXNHH-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

244.04034 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.04762 151.3
[M+Na]+ 267.02956 167.1
[M+NH4]+ 262.07416 156.4
[M+K]+ 283.00350 156.0
[M-H]- 243.03306 147.7
[M+Na-2H]- 265.01501 157.5
[M]+ 244.03979 152.1
[M]- 244.04089 152.1
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

patents stripe