CID 84433

2-chloro-4-nitropyridine 1-oxide

Structural Information

Molecular Formula
C5H3ClN2O3
SMILES
C1=C[N+](=C(C=C1[N+](=O)[O-])Cl)[O-]
InChI
InChI=1S/C5H3ClN2O3/c6-5-3-4(8(10)11)1-2-7(5)9/h1-3H
InChIKey
YSTCMHHKDOVZDA-UHFFFAOYSA-N
Compound name
2-chloro-4-nitro-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
Patents

173.98322 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.990496 132.7
[M+Na]+ 196.972438 141.6
[M-H]- 172.975944 134.0
[M+NH4]+ 192.017043 150.2
[M+K]+ 212.946378 130.5
[M+H-H2O]+ 156.980480 137.2
[M+HCOO]- 218.981421 152.3
[M+CH3COO]- 232.997071 163.7
[M+Na-2H]- 194.957886 142.7
[M]+ 173.98267142 130.7
[M]- 173.98376858 130.7
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