CID 14680112

2-chloro-5,6,7,8-tetrahydroquinolin-8-one

Structural Information

Molecular Formula
C9H8ClNO
SMILES
C1CC2=C(C(=O)C1)N=C(C=C2)Cl
InChI
InChI=1S/C9H8ClNO/c10-8-5-4-6-2-1-3-7(12)9(6)11-8/h4-5H,1-3H2
InChIKey
RNMYIMYXZYOOHG-UHFFFAOYSA-N
Compound name
2-chloro-6,7-dihydro-5H-quinolin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

181.02943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.036706 133.3
[M+Na]+ 204.018648 143.1
[M-H]- 180.022154 136.4
[M+NH4]+ 199.063253 154.1
[M+K]+ 219.992588 138.8
[M+H-H2O]+ 164.026690 127.7
[M+HCOO]- 226.027631 149.4
[M+CH3COO]- 240.043281 146.9
[M+Na-2H]- 202.004096 141.0
[M]+ 181.02888142 133.1
[M]- 181.02997858 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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