CID 118437298

1817828-97-9

Structural Information

Molecular Formula
C6H5ClN2O3
SMILES
CC1=C(C=C(C(=O)N1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H5ClN2O3/c1-3-5(9(11)12)2-4(7)6(10)8-3/h2H,1H3,(H,8,10)
InChIKey
FLUALWYBEARFEP-UHFFFAOYSA-N
Compound name
3-chloro-6-methyl-5-nitro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

187.99887 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.00615 131.4
[M+Na]+ 210.98809 141.9
[M-H]- 186.99159 133.3
[M+NH4]+ 206.03269 149.7
[M+K]+ 226.96203 134.2
[M+H-H2O]+ 170.99613 131.5
[M+HCOO]- 232.99707 151.2
[M+CH3COO]- 247.01272 171.7
[M+Na-2H]- 208.97354 139.2
[M]+ 187.99832 131.5
[M]- 187.99942 131.5
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