CID 67221
148-25-4
Structural Information
- Molecular Formula
- C10H8O8S2
- SMILES
- C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)O)O)S(=O)(=O)O
- InChI
- InChI=1S/C10H8O8S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,11-12H,(H,13,14,15)(H,16,17,18)
- InChIKey
- HLVXFWDLRHCZEI-UHFFFAOYSA-N
- Compound name
- 4,5-dihydroxynaphthalene-2,7-disulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 320.97334 | 165.7 |
[M+Na]+ | 342.95528 | 174.4 |
[M+NH4]+ | 337.99988 | 169.8 |
[M+K]+ | 358.92922 | 170.0 |
[M-H]- | 318.95878 | 162.3 |
[M+Na-2H]- | 340.94073 | 167.0 |
[M]+ | 319.96551 | 166.6 |
[M]- | 319.96661 | 166.6 |