CID 1502060

6,6'-bis(chloromethyl)-2,2'-bipyridyl

Structural Information

Molecular Formula
C12H10Cl2N2
SMILES
C1=CC(=NC(=C1)C2=CC=CC(=N2)CCl)CCl
InChI
InChI=1S/C12H10Cl2N2/c13-7-9-3-1-5-11(15-9)12-6-2-4-10(8-14)16-12/h1-6H,7-8H2
InChIKey
CUWSIBMCPYEBPL-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-6-[6-(chloromethyl)-2-pyridinyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

252.02211 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.029386 150.8
[M+Na]+ 275.011328 161.2
[M-H]- 251.014834 153.8
[M+NH4]+ 270.055933 166.5
[M+K]+ 290.985268 154.4
[M+H-H2O]+ 235.019370 142.9
[M+HCOO]- 297.020311 163.1
[M+CH3COO]- 311.035961 162.8
[M+Na-2H]- 272.996776 157.3
[M]+ 252.02156142 153.9
[M]- 252.02265858 153.9
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