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

129
Patents

180.92528 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.932556 126.8
[M+Na]+ 203.914498 138.4
[M-H]- 179.918004 127.6
[M+NH4]+ 198.959103 146.9
[M+K]+ 219.888438 133.3
[M+H-H2O]+ 163.922540 123.1
[M+HCOO]- 225.923481 135.8
[M+CH3COO]- 239.939131 178.9
[M+Na-2H]- 201.899946 133.3
[M]+ 180.92473142 129.0
[M]- 180.92582858 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