CID 76847745

2-chloro-4,5-bis(chloromethyl)pyridine

Structural Information

Molecular Formula
C7H6Cl3N
SMILES
C1=C(C(=CN=C1Cl)CCl)CCl
InChI
InChI=1S/C7H6Cl3N/c8-2-5-1-7(10)11-4-6(5)3-9/h1,4H,2-3H2
InChIKey
DSDQDEMLYRPBHV-UHFFFAOYSA-N
Compound name
2-chloro-4,5-bis(chloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

208.95659 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.963866 136.0
[M+Na]+ 231.945808 146.8
[M-H]- 207.949314 136.5
[M+NH4]+ 226.990413 155.0
[M+K]+ 247.919748 141.1
[M+H-H2O]+ 191.953850 131.8
[M+HCOO]- 253.954791 144.3
[M+CH3COO]- 267.970441 184.6
[M+Na-2H]- 229.931256 141.4
[M]+ 208.95604142 138.9
[M]- 208.95713858 138.9
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