CID 118703472

2770359-24-3

Structural Information

Molecular Formula
C7H8ClNO
SMILES
CN1C=C(C=CC1=O)CCl
InChI
InChI=1S/C7H8ClNO/c1-9-5-6(4-8)2-3-7(9)10/h2-3,5H,4H2,1H3
InChIKey
VKVYAMRFHUNFCU-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

157.02943 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03671 125.9
[M+Na]+ 180.01865 137.1
[M-H]- 156.02215 128.8
[M+NH4]+ 175.06325 147.0
[M+K]+ 195.99259 133.6
[M+H-H2O]+ 140.02669 120.9
[M+HCOO]- 202.02763 145.6
[M+CH3COO]- 216.04328 175.3
[M+Na-2H]- 178.00410 133.5
[M]+ 157.02888 129.0
[M]- 157.02998 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