CID 47003491

1308650-41-0

Structural Information

Molecular Formula
C9H10O3S
SMILES
C1CS(=O)(=O)C2=CC=CC=C2[C@@H]1O
InChI
InChI=1S/C9H10O3S/c10-8-5-6-13(11,12)9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2/t8-/m1/s1
InChIKey
HDWSBBCZEGJIPK-MRVPVSSYSA-N
Compound name
(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.03506 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.042336 135.8
[M+Na]+ 221.024278 145.3
[M-H]- 197.027784 139.5
[M+NH4]+ 216.068883 158.2
[M+K]+ 236.998218 142.0
[M+H-H2O]+ 181.032320 131.4
[M+HCOO]- 243.033261 151.7
[M+CH3COO]- 257.048911 177.1
[M+Na-2H]- 219.009726 142.1
[M]+ 198.03451142 136.3
[M]- 198.03560858 136.3
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.