CID 12318010

60323-96-8

Structural Information

Molecular Formula
C6H5ClN2O3
SMILES
CC1=C[N+](=C(C=C1[N+](=O)[O-])Cl)[O-]
InChI
InChI=1S/C6H5ClN2O3/c1-4-3-8(10)6(7)2-5(4)9(11)12/h2-3H,1H3
InChIKey
DXJQKWNJVPTPSK-UHFFFAOYSA-N
Compound name
2-chloro-5-methyl-4-nitro-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
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 137.1
[M+Na]+ 210.98809 146.4
[M-H]- 186.99159 138.5
[M+NH4]+ 206.03269 154.3
[M+K]+ 226.96203 135.1
[M+H-H2O]+ 170.99613 141.6
[M+HCOO]- 232.99707 156.3
[M+CH3COO]- 247.01272 167.6
[M+Na-2H]- 208.97354 145.9
[M]+ 187.99832 135.7
[M]- 187.99942 135.7
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