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

31
Patents

187.99887 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.006146 131.2
[M+Na]+ 210.988088 142.1
[M-H]- 186.991594 134.5
[M+NH4]+ 206.032693 150.2
[M+K]+ 226.962028 135.3
[M+H-H2O]+ 170.996130 131.0
[M+HCOO]- 232.997071 152.4
[M+CH3COO]- 247.012721 174.5
[M+Na-2H]- 208.973536 139.5
[M]+ 187.99832142 133.2
[M]- 187.99941858 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