CID 2784721

2,6-dichloro-4-nitropyridine-n-oxide

Structural Information

Molecular Formula
C5H2Cl2N2O3
SMILES
C1=C(C=C([N+](=C1Cl)[O-])Cl)[N+](=O)[O-]
InChI
InChI=1S/C5H2Cl2N2O3/c6-4-1-3(9(11)12)2-5(7)8(4)10/h1-2H
InChIKey
LWOLKOLHQCMQDE-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-nitro-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

207.94424 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.95152 139.8
[M+Na]+ 230.93346 148.9
[M-H]- 206.93696 140.1
[M+NH4]+ 225.97806 156.2
[M+K]+ 246.90740 137.1
[M+H-H2O]+ 190.94150 145.1
[M+HCOO]- 252.94244 154.1
[M+CH3COO]- 266.95809 169.7
[M+Na-2H]- 228.91891 147.9
[M]+ 207.94369 138.9
[M]- 207.94479 138.9
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