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

219
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

literature stripe

Patent stripe

patents stripe