CID 132371513

4-(4-bromophenoxy)-1lambda6-thiane-1,1-dione

Structural Information

Molecular Formula
C11H13BrO3S
SMILES
C1CS(=O)(=O)CCC1OC2=CC=C(C=C2)Br
InChI
InChI=1S/C11H13BrO3S/c12-9-1-3-10(4-2-9)15-11-5-7-16(13,14)8-6-11/h1-4,11H,5-8H2
InChIKey
PAAFHJDGXKZVNT-UHFFFAOYSA-N
Compound name
4-(4-bromophenoxy)thiane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

303.97687 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.98415 144.7
[M+Na]+ 326.96609 147.9
[M+NH4]+ 322.01069 151.2
[M+K]+ 342.94003 144.9
[M-H]- 302.96959 146.8
[M+Na-2H]- 324.95154 150.6
[M]+ 303.97632 145.1
[M]- 303.97742 145.1
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

patents stripe