CID 76929

Bis(4-bromophenyl) sulphide

Structural Information

Molecular Formula
C12H8Br2S
SMILES
C1=CC(=CC=C1SC2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C12H8Br2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
InChIKey
CLPVCAXOQZIJGW-UHFFFAOYSA-N
Compound name
1-bromo-4-(4-bromophenyl)sulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

217
Patents

341.87134 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.87862 137.0
[M+Na]+ 364.86056 149.1
[M-H]- 340.86406 146.9
[M+NH4]+ 359.90516 155.9
[M+K]+ 380.83450 133.0
[M+H-H2O]+ 324.86860 146.1
[M+HCOO]- 386.86954 150.7
[M+CH3COO]- 400.88519 152.1
[M+Na-2H]- 362.84601 144.2
[M]+ 341.87079 172.5
[M]- 341.87189 172.5
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.