CID 76051

2,3,4,5-tetrachloropyridine

Structural Information

Molecular Formula
C5HCl4N
SMILES
C1=C(C(=C(C(=N1)Cl)Cl)Cl)Cl
InChI
InChI=1S/C5HCl4N/c6-2-1-10-5(9)4(8)3(2)7/h1H
InChIKey
DLOOKZXVYJHDIY-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrachloropyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

441
Patents

214.8863 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.89358 134.1
[M+Na]+ 237.87552 145.7
[M-H]- 213.87902 133.3
[M+NH4]+ 232.92012 152.3
[M+K]+ 253.84946 140.3
[M+H-H2O]+ 197.88356 130.8
[M+HCOO]- 259.88450 137.2
[M+CH3COO]- 273.90015 186.4
[M+Na-2H]- 235.86097 138.2
[M]+ 214.88575 135.4
[M]- 214.88685 135.4
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