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

literature stripe

Patent stripe

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