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

57
Patents

208.95659 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.96387 136.0
[M+Na]+ 231.94581 146.8
[M-H]- 207.94931 136.5
[M+NH4]+ 226.99041 155.0
[M+K]+ 247.91975 141.1
[M+H-H2O]+ 191.95385 131.8
[M+HCOO]- 253.95479 144.3
[M+CH3COO]- 267.97044 184.6
[M+Na-2H]- 229.93126 141.4
[M]+ 208.95604 138.9
[M]- 208.95714 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