CID 2762728

2,4-dichloro-5-(chloromethyl)pyridine

Structural Information

Molecular Formula
C6H4Cl3N
SMILES
C1=C(C(=CN=C1Cl)CCl)Cl
InChI
InChI=1S/C6H4Cl3N/c7-2-4-3-10-6(9)1-5(4)8/h1,3H,2H2
InChIKey
PZHIYZLLIBBPFK-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-(chloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

194.94093 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.94821 131.4
[M+Na]+ 217.93015 142.6
[M-H]- 193.93365 132.1
[M+NH4]+ 212.97475 150.9
[M+K]+ 233.90409 137.2
[M+H-H2O]+ 177.93819 127.5
[M+HCOO]- 239.93913 140.1
[M+CH3COO]- 253.95478 181.8
[M+Na-2H]- 215.91560 137.4
[M]+ 194.94038 133.9
[M]- 194.94148 133.9
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