CID 728673

139485-42-0

Structural Information

Molecular Formula
C6HCl3N2
SMILES
C1=C(C(=C(C(=N1)C#N)Cl)Cl)Cl
InChI
InChI=1S/C6HCl3N2/c7-3-2-11-4(1-10)6(9)5(3)8/h2H
InChIKey
UBUTVAIAQCVVBX-UHFFFAOYSA-N
Compound name
3,4,5-trichloropyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

205.92053 Da
Monoisotopic Mass

2.8
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

literature stripe

Patent stripe

patents stripe