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

69
Patents

189.0112 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.018476 133.7
[M+Na]+ 212.000418 145.4
[M-H]- 188.003924 135.9
[M+NH4]+ 207.045023 154.2
[M+K]+ 227.974358 140.4
[M+H-H2O]+ 172.008460 129.4
[M+HCOO]- 234.009401 147.4
[M+CH3COO]- 248.025051 183.1
[M+Na-2H]- 209.985866 139.2
[M]+ 189.01065142 137.6
[M]- 189.01174858 137.6
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