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

55
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 133.7
[M+Na]+ 212.00042 145.4
[M-H]- 188.00392 135.9
[M+NH4]+ 207.04502 154.2
[M+K]+ 227.97436 140.4
[M+H-H2O]+ 172.00846 129.4
[M+HCOO]- 234.00940 147.4
[M+CH3COO]- 248.02505 183.1
[M+Na-2H]- 209.98587 139.2
[M]+ 189.01065 137.6
[M]- 189.01175 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