CID 53217411

5-bromo-2-[(5-bromopyridin-2-yl)disulfanyl]pyridine

Structural Information

Molecular Formula
C10H6Br2N2S2
SMILES
C1=CC(=NC=C1Br)SSC2=NC=C(C=C2)Br
InChI
InChI=1S/C10H6Br2N2S2/c11-7-1-3-9(13-5-7)15-16-10-4-2-8(12)6-14-10/h1-6H
InChIKey
WURUVZBYROJMDO-UHFFFAOYSA-N
Compound name
5-bromo-2-[(5-bromo-2-pyridinyl)disulfanyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

375.83392 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.841196 119.8
[M+Na]+ 398.823138 133.6
[M-H]- 374.826644 127.9
[M+NH4]+ 393.867743 136.3
[M+K]+ 414.797078 116.4
[M+H-H2O]+ 358.831180 129.3
[M+HCOO]- 420.832121 128.7
[M+CH3COO]- 434.847771 135.1
[M+Na-2H]- 396.808586 128.4
[M]+ 375.83337142 156.2
[M]- 375.83446858 156.2
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