CID 4226981

6,6''-dibromo-2,2':6',2''-terpyridine

Structural Information

Molecular Formula
C15H9Br2N3
SMILES
C1=CC(=NC(=C1)C2=NC(=CC=C2)Br)C3=NC(=CC=C3)Br
InChI
InChI=1S/C15H9Br2N3/c16-14-8-2-6-12(19-14)10-4-1-5-11(18-10)13-7-3-9-15(17)20-13/h1-9H
InChIKey
PYMBATDYUCQLBC-UHFFFAOYSA-N
Compound name
2,6-bis(6-bromopyridin-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

388.91632 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.92360 156.4
[M+Na]+ 411.90554 167.2
[M-H]- 387.90904 164.9
[M+NH4]+ 406.95014 169.4
[M+K]+ 427.87948 151.7
[M+H-H2O]+ 371.91358 163.4
[M+HCOO]- 433.91452 170.7
[M+CH3COO]- 447.93017 169.2
[M+Na-2H]- 409.89099 164.9
[M]+ 388.91577 190.2
[M]- 388.91687 190.2
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