CID 735985

4,6-diphenylthieno[3,4-d]-1,3-dioxol-2-one 5,5-dioxide

Structural Information

Molecular Formula
C17H10O5S
SMILES
C1=CC=C(C=C1)C2=C3C(=C(S2(=O)=O)C4=CC=CC=C4)OC(=O)O3
InChI
InChI=1S/C17H10O5S/c18-17-21-13-14(22-17)16(12-9-5-2-6-10-12)23(19,20)15(13)11-7-3-1-4-8-11/h1-10H
InChIKey
UEOYFCIGZWQXTP-UHFFFAOYSA-N
Compound name
5,5-dioxo-4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

39
Patents

326.0249 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.03218 169.4
[M+Na]+ 349.01412 184.3
[M-H]- 325.01762 184.5
[M+NH4]+ 344.05872 188.6
[M+K]+ 364.98806 182.1
[M+H-H2O]+ 309.02216 165.0
[M+HCOO]- 371.02310 192.3
[M+CH3COO]- 385.03875 185.0
[M+Na-2H]- 346.99957 174.1
[M]+ 326.02435 179.8
[M]- 326.02545 179.8
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