CID 5278218

1-(1,4-dihydro-2,3-benzodithiin-6-yl)ethanone

Structural Information

Molecular Formula
C10H10OS2
SMILES
CC(=O)C1=CC2=C(CSSC2)C=C1
InChI
InChI=1S/C10H10OS2/c1-7(11)8-2-3-9-5-12-13-6-10(9)4-8/h2-4H,5-6H2,1H3
InChIKey
LVWWZEGMCVXKNA-UHFFFAOYSA-N
Compound name
1-(1,4-dihydro-2,3-benzodithiin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.0173 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02458 138.8
[M+Na]+ 233.00652 146.3
[M-H]- 209.01002 142.8
[M+NH4]+ 228.05112 159.3
[M+K]+ 248.98046 142.2
[M+H-H2O]+ 193.01456 133.7
[M+HCOO]- 255.01550 148.7
[M+CH3COO]- 269.03115 151.1
[M+Na-2H]- 230.99197 141.3
[M]+ 210.01675 139.0
[M]- 210.01785 139.0
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.