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

60
Patents

238.01453 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.021806 144.9
[M+Na]+ 261.003748 156.0
[M-H]- 237.007254 149.0
[M+NH4]+ 256.048353 162.9
[M+K]+ 276.977688 147.8
[M+H-H2O]+ 221.011790 143.8
[M+HCOO]- 283.012731 164.5
[M+CH3COO]- 297.028381 185.4
[M+Na-2H]- 258.989196 153.6
[M]+ 238.01398142 147.6
[M]- 238.01507858 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

literature stripe

Patent stripe

patents stripe