CID 341768
96156-26-2
Structural Information
- Molecular Formula
- C15H10O4S
- SMILES
- C1=CC=C(C=C1)C2=CC(=O)C3=C(S2(=O)=O)C(=CC=C3)O
- InChI
- InChI=1S/C15H10O4S/c16-12-8-4-7-11-13(17)9-14(20(18,19)15(11)12)10-5-2-1-3-6-10/h1-9,16H
- InChIKey
- BOHKBSYMCUBXPE-UHFFFAOYSA-N
- Compound name
- 8-hydroxy-1,1-dioxo-2-phenylthiochromen-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 287.03725 | 158.8 |
[M+Na]+ | 309.01919 | 170.0 |
[M-H]- | 285.02269 | 166.2 |
[M+NH4]+ | 304.06379 | 177.5 |
[M+K]+ | 324.99313 | 164.7 |
[M+H-H2O]+ | 269.02723 | 152.3 |
[M+HCOO]- | 331.02817 | 175.9 |
[M+CH3COO]- | 345.04382 | 171.7 |
[M+Na-2H]- | 307.00464 | 164.4 |
[M]+ | 286.02942 | 161.7 |
[M]- | 286.03052 | 161.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.