CID 20193935

6-(2-chloroacetyl)-1-methyl-1,2,3,4-tetrahydroquinolin-2-one

Structural Information

Molecular Formula
C12H12ClNO2
SMILES
CN1C(=O)CCC2=C1C=CC(=C2)C(=O)CCl
InChI
InChI=1S/C12H12ClNO2/c1-14-10-4-2-9(11(15)7-13)6-8(10)3-5-12(14)16/h2,4,6H,3,5,7H2,1H3
InChIKey
MQDJHRBDWKGNMX-UHFFFAOYSA-N
Compound name
6-(2-chloroacetyl)-1-methyl-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

237.05565 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.062926 148.5
[M+Na]+ 260.044868 157.8
[M-H]- 236.048374 151.5
[M+NH4]+ 255.089473 167.1
[M+K]+ 276.018808 153.2
[M+H-H2O]+ 220.052910 142.6
[M+HCOO]- 282.053851 163.0
[M+CH3COO]- 296.069501 191.6
[M+Na-2H]- 258.030316 152.7
[M]+ 237.05510142 149.9
[M]- 237.05619858 149.9
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