CID 2762909

3-chloro-4-nitropyridine

Structural Information

Molecular Formula
C5H3ClN2O2
SMILES
C1=CN=CC(=C1[N+](=O)[O-])Cl
InChI
InChI=1S/C5H3ClN2O2/c6-4-3-7-2-1-5(4)8(9)10/h1-3H
InChIKey
CWLVEHGKYCYAIO-UHFFFAOYSA-N
Compound name
3-chloro-4-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

157.98831 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.995586 125.1
[M+Na]+ 180.977528 134.4
[M-H]- 156.981034 127.7
[M+NH4]+ 176.022133 144.7
[M+K]+ 196.951468 128.0
[M+H-H2O]+ 140.985570 124.6
[M+HCOO]- 202.986511 146.3
[M+CH3COO]- 217.002161 168.2
[M+Na-2H]- 178.962976 135.1
[M]+ 157.98776142 125.2
[M]- 157.98885858 125.2
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