CID 87569391

2,6-dichloro-3-(chloromethyl)-4-methylpyridine

Structural Information

Molecular Formula
C7H6Cl3N
SMILES
CC1=CC(=NC(=C1CCl)Cl)Cl
InChI
InChI=1S/C7H6Cl3N/c1-4-2-6(9)11-7(10)5(4)3-8/h2H,3H2,1H3
InChIKey
QFBYDEXMCZOLEB-UHFFFAOYSA-N
Compound name
2,6-dichloro-3-(chloromethyl)-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

208.95659 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.963866 135.6
[M+Na]+ 231.945808 147.3
[M-H]- 207.949314 136.4
[M+NH4]+ 226.990413 154.9
[M+K]+ 247.919748 141.7
[M+H-H2O]+ 191.953850 131.8
[M+HCOO]- 253.954791 144.0
[M+CH3COO]- 267.970441 185.7
[M+Na-2H]- 229.931256 140.3
[M]+ 208.95604142 138.8
[M]- 208.95713858 138.8
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