CID 23016

2,3,6-trichloropyridine

Structural Information

Molecular Formula
C5H2Cl3N
SMILES
C1=CC(=NC(=C1Cl)Cl)Cl
InChI
InChI=1S/C5H2Cl3N/c6-3-1-2-4(7)9-5(3)8/h1-2H
InChIKey
GPAKJVMKNDXBHH-UHFFFAOYSA-N
Compound name
2,3,6-trichloropyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

345
Patents

180.92528 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.93256 129.1
[M+Na]+ 203.91450 145.6
[M+NH4]+ 198.95910 139.1
[M+K]+ 219.88844 137.1
[M-H]- 179.91800 131.3
[M+Na-2H]- 201.89995 137.7
[M]+ 180.92473 133.1
[M]- 180.92583 133.1
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

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