CID 219553

5335-84-2

Structural Information

Molecular Formula
C12H8Br2S2
SMILES
C1=CC(=CC=C1SSC2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C12H8Br2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H
InChIKey
VZQVHIINDXJOQK-UHFFFAOYSA-N
Compound name
1-bromo-4-[(4-bromophenyl)disulfanyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1884
Patents

373.8434 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.85068 127.8
[M+Na]+ 396.83262 140.8
[M-H]- 372.83612 137.6
[M+NH4]+ 391.87722 146.2
[M+K]+ 412.80656 123.5
[M+H-H2O]+ 356.84066 137.3
[M+HCOO]- 418.84160 137.7
[M+CH3COO]- 432.85725 143.0
[M+Na-2H]- 394.81807 135.0
[M]+ 373.84285 163.7
[M]- 373.84395 163.7
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

No patent data available for this compound.