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

17
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.