CID 594879

2-chloro-5-(dichloromethyl)pyridine

Structural Information

Molecular Formula
C6H4Cl3N
SMILES
C1=CC(=NC=C1C(Cl)Cl)Cl
InChI
InChI=1S/C6H4Cl3N/c7-5-2-1-4(3-10-5)6(8)9/h1-3,6H
InChIKey
WFTIMXPPHQSLAE-UHFFFAOYSA-N
Compound name
2-chloro-5-(dichloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

194.94093 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.94821 130.9
[M+Na]+ 217.93015 141.1
[M-H]- 193.93365 131.5
[M+NH4]+ 212.97475 150.2
[M+K]+ 233.90409 136.0
[M+H-H2O]+ 177.93819 126.9
[M+HCOO]- 239.93913 138.8
[M+CH3COO]- 253.95478 181.5
[M+Na-2H]- 215.91560 136.6
[M]+ 194.94038 132.7
[M]- 194.94148 132.7
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