CID 22490301

719268-89-0

Structural Information

Molecular Formula
C6H5ClN2O3
SMILES
CN1C=CC(=C(C1=O)[N+](=O)[O-])Cl
InChI
InChI=1S/C6H5ClN2O3/c1-8-3-2-4(7)5(6(8)10)9(11)12/h2-3H,1H3
InChIKey
SOZKCGXAVVUKIT-UHFFFAOYSA-N
Compound name
4-chloro-1-methyl-3-nitropyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

187.99887 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.00615 131.2
[M+Na]+ 210.98809 142.1
[M-H]- 186.99159 134.5
[M+NH4]+ 206.03269 150.2
[M+K]+ 226.96203 135.3
[M+H-H2O]+ 170.99613 131.0
[M+HCOO]- 232.99707 152.4
[M+CH3COO]- 247.01272 174.5
[M+Na-2H]- 208.97354 139.5
[M]+ 187.99832 133.2
[M]- 187.99942 133.2
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

patents stripe