CID 11528399

2-chloro-3-chloromethyl-pyridine

Structural Information

Molecular Formula
C6H5Cl2N
SMILES
C1=CC(=C(N=C1)Cl)CCl
InChI
InChI=1S/C6H5Cl2N/c7-4-5-2-1-3-9-6(5)8/h1-3H,4H2
InChIKey
QWIIJVGEBIQHSW-UHFFFAOYSA-N
Compound name
2-chloro-3-(chloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

680
Patents

160.9799 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.987176 125.3
[M+Na]+ 183.969118 136.0
[M-H]- 159.972624 127.0
[M+NH4]+ 179.013723 146.2
[M+K]+ 199.943058 131.4
[M+H-H2O]+ 143.977160 120.8
[M+HCOO]- 205.978101 139.7
[M+CH3COO]- 219.993751 175.0
[M+Na-2H]- 181.954566 133.3
[M]+ 160.97935142 127.7
[M]- 160.98044858 127.7
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