CID 27665

2,4,6-trichloropyridine

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1497
Patents

180.92528 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.93256 126.8
[M+Na]+ 203.91450 138.4
[M-H]- 179.91800 127.6
[M+NH4]+ 198.95910 146.9
[M+K]+ 219.88844 133.3
[M+H-H2O]+ 163.92254 123.1
[M+HCOO]- 225.92348 135.8
[M+CH3COO]- 239.93913 178.9
[M+Na-2H]- 201.89995 133.3
[M]+ 180.92473 129.0
[M]- 180.92583 129.0
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