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

12
Patents

194.94093 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.948206 131.4
[M+Na]+ 217.930148 142.6
[M-H]- 193.933654 132.1
[M+NH4]+ 212.974753 150.9
[M+K]+ 233.904088 137.2
[M+H-H2O]+ 177.938190 127.5
[M+HCOO]- 239.939131 140.1
[M+CH3COO]- 253.954781 181.8
[M+Na-2H]- 215.915596 137.4
[M]+ 194.94038142 133.9
[M]- 194.94147858 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