CID 11019637

4-chloro-2-(chloromethyl)-3,5-dimethylpyridine hydrochloride

Structural Information

Molecular Formula
C8H9Cl2N
SMILES
CC1=CN=C(C(=C1Cl)C)CCl
InChI
InChI=1S/C8H9Cl2N/c1-5-4-11-7(3-9)6(2)8(5)10/h4H,3H2,1-2H3
InChIKey
BAIWBDZQCQHMJV-UHFFFAOYSA-N
Compound name
4-chloro-2-(chloromethyl)-3,5-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

189.0112 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.01848 134.8
[M+Na]+ 212.00042 151.1
[M+NH4]+ 207.04502 144.6
[M+K]+ 227.97436 142.6
[M-H]- 188.00392 137.4
[M+Na-2H]- 209.98587 142.8
[M]+ 189.01065 138.6
[M]- 189.01175 138.6
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