CID 21829168

2,4,5-trichloropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

180.92528 Da
Monoisotopic Mass

3.1
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

No literature data available for this compound.

Patent stripe

patents stripe