CID 84083229

6-bromo-3,4-dihydro-2h-1lambda6-benzothiopyran-1,1-dione

Structural Information

Molecular Formula
C9H9BrO2S
SMILES
C1CC2=C(C=CC(=C2)Br)S(=O)(=O)C1
InChI
InChI=1S/C9H9BrO2S/c10-8-3-4-9-7(6-8)2-1-5-13(9,11)12/h3-4,6H,1-2,5H2
InChIKey
LBRZWEGVJJRAAO-UHFFFAOYSA-N
Compound name
6-bromo-3,4-dihydro-2H-thiochromene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.95065 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.95793 132.7
[M+Na]+ 282.93987 136.6
[M+NH4]+ 277.98447 140.1
[M+K]+ 298.91381 133.4
[M-H]- 258.94337 134.0
[M+Na-2H]- 280.92532 137.9
[M]+ 259.95010 133.1
[M]- 259.95120 133.1
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

No patent data available for this compound.