CID 265655

981-25-9

Structural Information

Molecular Formula
C23H18O3S
SMILES
C1C2C(S1(=O)=O)C3(C4=CC=CC=C4C2(O3)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C23H18O3S/c24-27(25)15-20-21(27)23(17-11-5-2-6-12-17)19-14-8-7-13-18(19)22(20,26-23)16-9-3-1-4-10-16/h1-14,20-21H,15H2
InChIKey
OTRXFUPTBFSOCH-UHFFFAOYSA-N
Compound name
1,8-diphenyl-13-oxa-10lambda6-thiatetracyclo[6.4.1.02,7.09,12]trideca-2,4,6-triene 10,10-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.09766 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10494 181.5
[M+Na]+ 397.08688 192.2
[M-H]- 373.09038 193.9
[M+NH4]+ 392.13148 199.2
[M+K]+ 413.06082 189.7
[M+H-H2O]+ 357.09492 171.2
[M+HCOO]- 419.09586 195.9
[M+CH3COO]- 433.11151 193.4
[M+Na-2H]- 395.07233 186.9
[M]+ 374.09711 196.2
[M]- 374.09821 196.2
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.