CID 5278220

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

Structural Information

Molecular Formula
C14H12OS2
SMILES
C1C2=C(CSS1)C=C(C=C2)OC3=CC=CC=C3
InChI
InChI=1S/C14H12OS2/c1-2-4-13(5-3-1)15-14-7-6-11-9-16-17-10-12(11)8-14/h1-8H,9-10H2
InChIKey
JHPOVWTUYNIVFI-UHFFFAOYSA-N
Compound name
6-phenoxy-1,4-dihydro-2,3-benzodithiine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.03296 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.04024 150.8
[M+Na]+ 283.02218 158.5
[M-H]- 259.02568 157.6
[M+NH4]+ 278.06678 169.1
[M+K]+ 298.99612 153.0
[M+H-H2O]+ 243.03022 144.4
[M+HCOO]- 305.03116 162.3
[M+CH3COO]- 319.04681 162.6
[M+Na-2H]- 281.00763 155.2
[M]+ 260.03241 151.1
[M]- 260.03351 151.1
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.