CID 126485582

3,4-dichloro-2-(chloromethyl)pyridine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

194.94093 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.94821 133.5
[M+Na]+ 217.93015 149.8
[M+NH4]+ 212.97475 143.3
[M+K]+ 233.90409 141.1
[M-H]- 193.93365 135.7
[M+Na-2H]- 215.91560 141.9
[M]+ 194.94038 137.4
[M]- 194.94148 137.4
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