CID 9883002

Sb-3ct

Structural Information

Molecular Formula
C15H14O3S2
SMILES
C1C(S1)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
InChI
InChI=1S/C15H14O3S2/c16-20(17,11-14-10-19-14)15-8-6-13(7-9-15)18-12-4-2-1-3-5-12/h1-9,14H,10-11H2
InChIKey
LSONWRHLFZYHIN-UHFFFAOYSA-N
Compound name
2-[(4-phenoxyphenyl)sulfonylmethyl]thiirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

89
References

602
Patents

306.03842 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.04570 171.1
[M+Na]+ 329.02764 185.6
[M+NH4]+ 324.07224 180.4
[M+K]+ 345.00158 176.0
[M-H]- 305.03114 182.6
[M+Na-2H]- 327.01309 181.9
[M]+ 306.03787 178.6
[M]- 306.03897 178.6
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

patents stripe