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

11
Patents

237.05565 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06293 148.5
[M+Na]+ 260.04487 162.6
[M+NH4]+ 255.08947 157.2
[M+K]+ 276.01881 155.4
[M-H]- 236.04837 150.3
[M+Na-2H]- 258.03032 153.9
[M]+ 237.05510 151.3
[M]- 237.05620 151.3
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