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-bromopyridin-3-yl)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]+ 376.84120 119.8
[M+Na]+ 398.82314 133.6
[M-H]- 374.82664 127.9
[M+NH4]+ 393.86774 136.3
[M+K]+ 414.79708 116.4
[M+H-H2O]+ 358.83118 129.3
[M+HCOO]- 420.83212 128.7
[M+CH3COO]- 434.84777 135.1
[M+Na-2H]- 396.80859 128.4
[M]+ 375.83337 156.2
[M]- 375.83447 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