CID 54875

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

Structural Information

Molecular Formula
C9H9BrS2
SMILES
C1CSC(S1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C9H9BrS2/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9H,4-5H2
InChIKey
JHRNZQWXJTUNHH-UHFFFAOYSA-N
Compound name
2-(3-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 134.8
[M+Na]+ 282.92214 147.8
[M-H]- 258.92564 144.5
[M+NH4]+ 277.96674 158.4
[M+K]+ 298.89608 135.6
[M+H-H2O]+ 242.93018 136.6
[M+HCOO]- 304.93112 147.1
[M+CH3COO]- 318.94677 150.6
[M+Na-2H]- 280.90759 137.8
[M]+ 259.93237 153.0
[M]- 259.93347 153.0
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.