CID 11056981

5,5'-bis(bromomethyl)-2,2'-bipyridine

Structural Information

Molecular Formula
C12H10Br2N2
SMILES
C1=CC(=NC=C1CBr)C2=NC=C(C=C2)CBr
InChI
InChI=1S/C12H10Br2N2/c13-5-9-1-3-11(15-7-9)12-4-2-10(6-14)8-16-12/h1-4,7-8H,5-6H2
InChIKey
OESAKGGTMNBXLT-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-2-[5-(bromomethyl)pyridin-2-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

41
Patents

339.92108 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.92836 146.7
[M+Na]+ 362.91030 157.6
[M-H]- 338.91380 153.8
[M+NH4]+ 357.95490 162.7
[M+K]+ 378.88424 142.0
[M+H-H2O]+ 322.91834 154.3
[M+HCOO]- 384.91928 162.0
[M+CH3COO]- 398.93493 160.3
[M+Na-2H]- 360.89575 155.3
[M]+ 339.92053 181.2
[M]- 339.92163 181.2
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