CID 55012

1,3-dithiolane, 2-(p-bromophenyl)-

Structural Information

Molecular Formula
C9H9BrS2
SMILES
C1CSC(S1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C9H9BrS2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4,9H,5-6H2
InChIKey
ISMCODXVTQSEGF-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.93292 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.94020 127.0
[M+Na]+ 282.92214 130.2
[M+NH4]+ 277.96674 134.6
[M+K]+ 298.89608 128.1
[M-H]- 258.92564 130.4
[M+Na-2H]- 280.90759 132.1
[M]+ 259.93237 128.2
[M]- 259.93347 128.2
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

No patent data available for this compound.