CID 5279635

2,3-dihydro-1,4-benzodithiine-5,8-diol

Structural Information

Molecular Formula
C8H8O2S2
SMILES
C1CSC2=C(C=CC(=C2S1)O)O
InChI
InChI=1S/C8H8O2S2/c9-5-1-2-6(10)8-7(5)11-3-4-12-8/h1-2,9-10H,3-4H2
InChIKey
MRLSNZHWFFAJFY-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodithiine-5,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

199.99657 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00385 133.6
[M+Na]+ 222.98579 141.7
[M-H]- 198.98929 135.2
[M+NH4]+ 218.03039 153.4
[M+K]+ 238.95973 136.8
[M+H-H2O]+ 182.99383 129.4
[M+HCOO]- 244.99477 142.3
[M+CH3COO]- 259.01042 145.6
[M+Na-2H]- 220.97124 137.0
[M]+ 199.99602 132.6
[M]- 199.99712 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

No patent data available for this compound.