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

470
Patents

184.01941 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.026686 130.4
[M+Na]+ 207.008628 140.2
[M-H]- 183.012134 136.2
[M+NH4]+ 202.053233 152.7
[M+K]+ 222.982568 139.1
[M+H-H2O]+ 167.016670 125.7
[M+HCOO]- 229.017611 147.6
[M+CH3COO]- 243.033261 175.5
[M+Na-2H]- 204.994076 139.2
[M]+ 184.01886142 132.6
[M]- 184.01995858 132.6
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

patents stripe