CID 14640207

3-chloro-5-(chloromethyl)pyridine hydrochloride

Structural Information

Molecular Formula
C6H5Cl2N
SMILES
C1=C(C=NC=C1Cl)CCl
InChI
InChI=1S/C6H5Cl2N/c7-2-5-1-6(8)4-9-3-5/h1,3-4H,2H2
InChIKey
DEFJPBMQJUFFBE-UHFFFAOYSA-N
Compound name
3-chloro-5-(chloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

160.9799 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.98718 126.2
[M+Na]+ 183.96912 142.2
[M+NH4]+ 179.01372 136.3
[M+K]+ 199.94306 133.7
[M-H]- 159.97262 128.7
[M+Na-2H]- 181.95457 135.2
[M]+ 160.97935 129.9
[M]- 160.98045 129.9
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