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]+ 220.05237 143.6
[M+Na]+ 242.03431 154.6
[M-H]- 218.03781 148.3
[M+NH4]+ 237.07891 161.3
[M+K]+ 258.00825 148.2
[M+H-H2O]+ 202.04235 137.2
[M+HCOO]- 264.04329 161.6
[M+CH3COO]- 278.05894 157.0
[M+Na-2H]- 240.01976 149.7
[M]+ 219.04454 144.6
[M]- 219.04564 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.