CID 137185904
Blighinone
Structural Information
- Molecular Formula
- C16H10O8
- SMILES
- CC1(C2=C(C(=O)C=CC2=O)C3=C(C=C(C(=C3C1=O)O)C(=O)O)O)O
- InChI
- InChI=1S/C16H10O8/c1-16(24)12-7(18)3-2-6(17)10(12)9-8(19)4-5(15(22)23)13(20)11(9)14(16)21/h2-4,19-20,24H,1H3,(H,22,23)
- InChIKey
- YFUQJMOETZJFHO-UHFFFAOYSA-N
- Compound name
- 1,4,9-trihydroxy-9-methyl-5,8,10-trioxophenanthrene-2-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 331.04485 | 165.0 |
[M+Na]+ | 353.02679 | 175.9 |
[M-H]- | 329.03029 | 166.6 |
[M+NH4]+ | 348.07139 | 180.7 |
[M+K]+ | 369.00073 | 172.7 |
[M+H-H2O]+ | 313.03483 | 160.3 |
[M+HCOO]- | 375.03577 | 178.5 |
[M+CH3COO]- | 389.05142 | 205.2 |
[M+Na-2H]- | 351.01224 | 168.1 |
[M]+ | 330.03702 | 166.9 |
[M]- | 330.03812 | 166.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.