CID 87900417

3-bromo-5-[(5-bromopyridin-3-yl)disulfanyl]pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

375.83392 Da
Monoisotopic Mass

3.3
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

No literature data available for this compound.

Patent stripe

patents stripe