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

638
Patents

160.9799 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.98718 125.3
[M+Na]+ 183.96912 136.0
[M-H]- 159.97262 127.0
[M+NH4]+ 179.01372 146.2
[M+K]+ 199.94306 131.4
[M+H-H2O]+ 143.97716 120.8
[M+HCOO]- 205.97810 139.7
[M+CH3COO]- 219.99375 175.0
[M+Na-2H]- 181.95457 133.3
[M]+ 160.97935 127.7
[M]- 160.98045 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