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

30
Patents

187.99887 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.006146 131.4
[M+Na]+ 210.988088 141.9
[M-H]- 186.991594 133.3
[M+NH4]+ 206.032693 149.7
[M+K]+ 226.962028 134.2
[M+H-H2O]+ 170.996130 131.5
[M+HCOO]- 232.997071 151.2
[M+CH3COO]- 247.012721 171.7
[M+Na-2H]- 208.973536 139.2
[M]+ 187.99832142 131.5
[M]- 187.99941858 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