CID 54553271

2-chloro-3-nitropyridine-4-carbonitrile

Structural Information

Molecular Formula
C6H2ClN3O2
SMILES
C1=CN=C(C(=C1C#N)[N+](=O)[O-])Cl
InChI
InChI=1S/C6H2ClN3O2/c7-6-5(10(11)12)4(3-8)1-2-9-6/h1-2H
InChIKey
ZLJPCCMBISZPJO-UHFFFAOYSA-N
Compound name
2-chloro-3-nitropyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

182.98355 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.990826 136.6
[M+Na]+ 205.972768 147.7
[M-H]- 181.976274 138.6
[M+NH4]+ 201.017373 153.2
[M+K]+ 221.946708 140.8
[M+H-H2O]+ 165.980810 128.8
[M+HCOO]- 227.981751 153.7
[M+CH3COO]- 241.997401 186.6
[M+Na-2H]- 203.958216 144.1
[M]+ 182.98300142 132.0
[M]- 182.98409858 132.0
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