CID 54695447
Nsc619387
Structural Information
- Molecular Formula
- C16H11ClO6S
- SMILES
- COC1=CC2=C(C=C1)C(=C(C(=O)O2)S(=O)(=O)C3=CC=C(C=C3)Cl)O
- InChI
- InChI=1S/C16H11ClO6S/c1-22-10-4-7-12-13(8-10)23-16(19)15(14(12)18)24(20,21)11-5-2-9(17)3-6-11/h2-8,18H,1H3
- InChIKey
- LFXMPGOHPGDSCB-UHFFFAOYSA-N
- Compound name
- 3-(4-chlorophenyl)sulfonyl-4-hydroxy-7-methoxychromen-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 367.00378 | 175.3 |
[M+Na]+ | 388.98572 | 187.4 |
[M-H]- | 364.98922 | 184.0 |
[M+NH4]+ | 384.03032 | 188.6 |
[M+K]+ | 404.95966 | 183.5 |
[M+H-H2O]+ | 348.99376 | 169.3 |
[M+HCOO]- | 410.99470 | 187.1 |
[M+CH3COO]- | 425.01035 | 208.0 |
[M+Na-2H]- | 386.97117 | 181.1 |
[M]+ | 365.99595 | 185.1 |
[M]- | 365.99705 | 185.1 |
Literature stripe
Patent stripe
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