CID 134099346

3-(4-bromophenyl)-2h-1lambda6-thiete-1,1-dione

Structural Information

Molecular Formula
C9H7BrO2S
SMILES
C1C(=CS1(=O)=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C9H7BrO2S/c10-9-3-1-7(2-4-9)8-5-13(11,12)6-8/h1-5H,6H2
InChIKey
DSBCTWCOIXZLFV-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-2H-thiete 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.935 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.94228 122.9
[M+Na]+ 280.92422 135.6
[M-H]- 256.92772 133.0
[M+NH4]+ 275.96882 140.2
[M+K]+ 296.89816 127.3
[M+H-H2O]+ 240.93226 119.5
[M+HCOO]- 302.93320 140.9
[M+CH3COO]- 316.94885 190.5
[M+Na-2H]- 278.90967 131.2
[M]+ 257.93445 152.3
[M]- 257.93555 152.3
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.