CID 10220180

147778-05-0

Structural Information

Molecular Formula
C9H7ClN2O3
SMILES
C1C(C(=O)NC2=C1C=CC(=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H7ClN2O3/c10-6-2-1-5-3-8(12(14)15)9(13)11-7(5)4-6/h1-2,4,8H,3H2,(H,11,13)
InChIKey
JXGOSNKBNBJAGV-UHFFFAOYSA-N
Compound name
7-chloro-3-nitro-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

10
Patents

226.01453 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.02181 142.7
[M+Na]+ 249.00375 150.9
[M-H]- 225.00725 144.4
[M+NH4]+ 244.04835 159.9
[M+K]+ 264.97769 142.4
[M+H-H2O]+ 209.01179 142.0
[M+HCOO]- 271.01273 158.3
[M+CH3COO]- 285.02838 179.1
[M+Na-2H]- 246.98920 150.3
[M]+ 226.01398 140.0
[M]- 226.01508 140.0
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

patents stripe