CID 21075455

34257-54-0

Structural Information

Molecular Formula
C8H8O3S
SMILES
C1CS(=O)(=O)C2=CC=CC=C2O1
InChI
InChI=1S/C8H8O3S/c9-12(10)6-5-11-7-3-1-2-4-8(7)12/h1-4H,5-6H2
InChIKey
QVOIEXYRCRGOQM-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4lambda6-benzoxathiine 4,4-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

465
Patents

184.01941 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.02669 133.0
[M+Na]+ 207.00863 146.3
[M+NH4]+ 202.05323 144.0
[M+K]+ 222.98257 136.5
[M-H]- 183.01213 136.8
[M+Na-2H]- 204.99408 140.5
[M]+ 184.01886 136.7
[M]- 184.01996 136.7
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