CID 42621

2,3-dihydro-5,6-diphenyl-1,4-oxathiin

Structural Information

Molecular Formula
C16H14OS
SMILES
C1CSC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H14OS/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
GZVBPNSXCWYLJU-UHFFFAOYSA-N
Compound name
5,6-diphenyl-2,3-dihydro-1,4-oxathiine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

254.07654 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08382 154.1
[M+Na]+ 277.06576 170.8
[M+NH4]+ 272.11036 165.3
[M+K]+ 293.03970 159.5
[M-H]- 253.06926 163.8
[M+Na-2H]- 275.05121 166.1
[M]+ 254.07599 160.1
[M]- 254.07709 160.1
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

patents stripe