CID 701939

79966-13-5

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

50
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 143.5
[M+Na]+ 261.00375 160.4
[M+NH4]+ 256.04835 152.2
[M+K]+ 276.97769 155.6
[M-H]- 237.00725 147.2
[M+Na-2H]- 258.98920 150.6
[M]+ 238.01398 147.2
[M]- 238.01508 147.2
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