CID 13690766

7-chloro-1,2,3,4-tetrahydroquinolin-2-one

Structural Information

Molecular Formula
C9H8ClNO
SMILES
C1CC(=O)NC2=C1C=CC(=C2)Cl
InChI
InChI=1S/C9H8ClNO/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1,3,5H,2,4H2,(H,11,12)
InChIKey
HBKUREOLTIMYPY-UHFFFAOYSA-N
Compound name
7-chloro-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

181.02943 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03671 133.8
[M+Na]+ 204.01865 143.2
[M-H]- 180.02215 135.5
[M+NH4]+ 199.06325 153.9
[M+K]+ 219.99259 138.0
[M+H-H2O]+ 164.02669 128.6
[M+HCOO]- 226.02763 148.4
[M+CH3COO]- 240.04328 146.7
[M+Na-2H]- 202.00410 141.0
[M]+ 181.02888 131.8
[M]- 181.02998 131.8
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