CID 4961790

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

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
C1CC(=O)NC2=C1C=C(C=C2)C(=O)CCl
InChI
InChI=1S/C11H10ClNO2/c12-6-10(14)8-1-3-9-7(5-8)2-4-11(15)13-9/h1,3,5H,2,4,6H2,(H,13,15)
InChIKey
SUKDPTKEKHZBDT-UHFFFAOYSA-N
Compound name
6-(2-chloroacetyl)-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

223.04001 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04729 144.6
[M+Na]+ 246.02923 153.0
[M-H]- 222.03273 146.1
[M+NH4]+ 241.07383 162.8
[M+K]+ 262.00317 147.8
[M+H-H2O]+ 206.03727 139.1
[M+HCOO]- 268.03821 158.0
[M+CH3COO]- 282.05386 184.9
[M+Na-2H]- 244.01468 149.6
[M]+ 223.03946 143.5
[M]- 223.04056 143.5
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