CID 15534660

51417-15-3

Structural Information

Molecular Formula
C7H8ClNO
SMILES
CN1C=CC=C(C1=O)CCl
InChI
InChI=1S/C7H8ClNO/c1-9-4-2-3-6(5-8)7(9)10/h2-4H,5H2,1H3
InChIKey
ZXOFJHODMQKIPL-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

157.02943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.036706 125.9
[M+Na]+ 180.018648 137.1
[M-H]- 156.022154 128.8
[M+NH4]+ 175.063253 147.0
[M+K]+ 195.992588 133.6
[M+H-H2O]+ 140.026690 120.9
[M+HCOO]- 202.027631 145.6
[M+CH3COO]- 216.043281 175.3
[M+Na-2H]- 178.004096 133.5
[M]+ 157.02888142 129.0
[M]- 157.02997858 129.0
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