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]+ 209.96387 135.6
[M+Na]+ 231.94581 147.3
[M-H]- 207.94931 136.4
[M+NH4]+ 226.99041 154.9
[M+K]+ 247.91975 141.7
[M+H-H2O]+ 191.95385 131.8
[M+HCOO]- 253.95479 144.0
[M+CH3COO]- 267.97044 185.7
[M+Na-2H]- 229.93126 140.3
[M]+ 208.95604 138.8
[M]- 208.95714 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