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 157.8
[M-H]- 236.04837 151.5
[M+NH4]+ 255.08947 167.1
[M+K]+ 276.01881 153.2
[M+H-H2O]+ 220.05291 142.6
[M+HCOO]- 282.05385 163.0
[M+CH3COO]- 296.06950 191.6
[M+Na-2H]- 258.03032 152.7
[M]+ 237.05510 149.9
[M]- 237.05620 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