CID 3016181

2,4,6-trichloronicotinonitrile

Structural Information

Molecular Formula
C6HCl3N2
SMILES
C1=C(C(=C(N=C1Cl)Cl)C#N)Cl
InChI
InChI=1S/C6HCl3N2/c7-4-1-5(8)11-6(9)3(4)2-10/h1H
InChIKey
GCNVFPGCHKJKJK-UHFFFAOYSA-N
Compound name
2,4,6-trichloropyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

205.92053 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.92781 134.6
[M+Na]+ 228.90975 148.6
[M-H]- 204.91325 135.6
[M+NH4]+ 223.95435 152.1
[M+K]+ 244.88369 142.4
[M+H-H2O]+ 188.91779 124.8
[M+HCOO]- 250.91873 141.4
[M+CH3COO]- 264.93438 195.6
[M+Na-2H]- 226.89520 139.6
[M]+ 205.91998 132.5
[M]- 205.92108 132.5
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