CID 5278221

6-methoxy-1,4-dihydro-2,3-benzodithiine

Structural Information

Molecular Formula
C9H10OS2
SMILES
COC1=CC2=C(CSSC2)C=C1
InChI
InChI=1S/C9H10OS2/c1-10-9-3-2-7-5-11-12-6-8(7)4-9/h2-4H,5-6H2,1H3
InChIKey
VWAFDADOMCMRTD-UHFFFAOYSA-N
Compound name
6-methoxy-1,4-dihydro-2,3-benzodithiine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

198.0173 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.02458 134.7
[M+Na]+ 221.00652 142.8
[M-H]- 197.01002 138.9
[M+NH4]+ 216.05112 155.9
[M+K]+ 236.98046 139.1
[M+H-H2O]+ 181.01456 129.7
[M+HCOO]- 243.01550 145.9
[M+CH3COO]- 257.03115 147.6
[M+Na-2H]- 218.99197 138.7
[M]+ 198.01675 135.8
[M]- 198.01785 135.8
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