CID 78083

2-(dichloromethyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

848
Patents

160.9799 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.98718 125.4
[M+Na]+ 183.96912 134.8
[M-H]- 159.97262 126.9
[M+NH4]+ 179.01372 145.9
[M+K]+ 199.94306 130.6
[M+H-H2O]+ 143.97716 120.7
[M+HCOO]- 205.97810 138.8
[M+CH3COO]- 219.99375 174.7
[M+Na-2H]- 181.95457 132.9
[M]+ 160.97935 126.9
[M]- 160.98045 126.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe