CID 53217839

3-(3-chloro-4-methylphenyl)-2-hydroxypyridine

Structural Information

Molecular Formula
C12H10ClNO
SMILES
CC1=C(C=C(C=C1)C2=CC=CNC2=O)Cl
InChI
InChI=1S/C12H10ClNO/c1-8-4-5-9(7-11(8)13)10-3-2-6-14-12(10)15/h2-7H,1H3,(H,14,15)
InChIKey
JZTQRUFOTYYMTK-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-methylphenyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.04509 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.052366 143.6
[M+Na]+ 242.034308 154.6
[M-H]- 218.037814 148.3
[M+NH4]+ 237.078913 161.3
[M+K]+ 258.008248 148.2
[M+H-H2O]+ 202.042350 137.2
[M+HCOO]- 264.043291 161.6
[M+CH3COO]- 278.058941 157.0
[M+Na-2H]- 240.019756 149.7
[M]+ 219.04454142 144.6
[M]- 219.04563858 144.6
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.