CID 13381705

93683-65-9

Structural Information

Molecular Formula

C₆H₂ClN₃O₂

SMILES

C1=CC(=NC(=C1[N+](=O)[O-])C#N)Cl

InChI

InChI=1S/C6H2ClN3O2/c7-6-2-1-5(10(11)12)4(3-8)9-6/h1-2H

InChIKey

XVIHGTRTKQZJAC-UHFFFAOYSA-N

Compound name

6-chloro-3-nitropyridine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 257
Patents: 182.98355 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	183.99083	131.7
[M+Na]+	205.97277	145.8
[M+NH4]+	201.01737	136.7
[M+K]+	221.94671	138.9
[M-H]-	181.97627	127.3
[M+Na-2H]-	203.95822	136.3
[M]+	182.98300	131.8
[M]-	182.98410	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe