CID 14640338
Dtxsid40873851
Structural Information
- Molecular Formula
- C21H16O6S2
- SMILES
- C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)CC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O
- InChI
- InChI=1S/C21H16O6S2/c22-28(23,24)18-7-9-20-14(3-1-5-16(20)12-18)11-15-4-2-6-17-13-19(29(25,26)27)8-10-21(15)17/h1-10,12-13H,11H2,(H,22,23,24)(H,25,26,27)
- InChIKey
- XQFKOAKYKWUBKQ-UHFFFAOYSA-N
- Compound name
- 5-[(6-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 429.04610 | 195.9 |
[M+Na]+ | 451.02804 | 205.4 |
[M-H]- | 427.03154 | 201.5 |
[M+NH4]+ | 446.07264 | 206.6 |
[M+K]+ | 467.00198 | 198.7 |
[M+H-H2O]+ | 411.03608 | 188.9 |
[M+HCOO]- | 473.03702 | 204.1 |
[M+CH3COO]- | 487.05267 | 217.3 |
[M+Na-2H]- | 449.01349 | 204.2 |
[M]+ | 428.03827 | 202.0 |
[M]- | 428.03937 | 202.0 |
Literature stripe
No literature data available for this compound.