CID 73554431

4-chloro-7,8-dihydroquinolin-5(6h)-one

Structural Information

Molecular Formula
C9H8ClNO
SMILES
C1CC2=NC=CC(=C2C(=O)C1)Cl
InChI
InChI=1S/C9H8ClNO/c10-6-4-5-11-7-2-1-3-8(12)9(6)7/h4-5H,1-3H2
InChIKey
QCKVPCBDAXENKE-UHFFFAOYSA-N
Compound name
4-chloro-7,8-dihydro-6H-quinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

181.02943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03671 133.1
[M+Na]+ 204.01865 148.3
[M+NH4]+ 199.06325 143.2
[M+K]+ 219.99259 140.2
[M-H]- 180.02215 136.0
[M+Na-2H]- 202.00410 140.4
[M]+ 181.02888 136.4
[M]- 181.02998 136.4
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