CID 701939

4-chloro-1-methyl-3-nitro-1,2-dihydroquinolin-2-one

Structural Information

Molecular Formula
C10H7ClN2O3
SMILES
CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])Cl
InChI
InChI=1S/C10H7ClN2O3/c1-12-7-5-3-2-4-6(7)8(11)9(10(12)14)13(15)16/h2-5H,1H3
InChIKey
KPDOVJBEKCRATD-UHFFFAOYSA-N
Compound name
4-chloro-1-methyl-3-nitroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

56
Patents

238.01453 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.02181 144.9
[M+Na]+ 261.00375 156.0
[M-H]- 237.00725 149.0
[M+NH4]+ 256.04835 162.9
[M+K]+ 276.97769 147.8
[M+H-H2O]+ 221.01179 143.8
[M+HCOO]- 283.01273 164.5
[M+CH3COO]- 297.02838 185.4
[M+Na-2H]- 258.98920 153.6
[M]+ 238.01398 147.6
[M]- 238.01508 147.6
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.