CID 284909

5-chloro-3-nitropyridine-2-carbonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

182.98355 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.99083 136.6
[M+Na]+ 205.97277 147.7
[M-H]- 181.97627 138.6
[M+NH4]+ 201.01737 153.2
[M+K]+ 221.94671 140.8
[M+H-H2O]+ 165.98081 128.8
[M+HCOO]- 227.98175 153.7
[M+CH3COO]- 241.99740 186.6
[M+Na-2H]- 203.95822 144.1
[M]+ 182.98300 132.0
[M]- 182.98410 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