CID 13120163
Kit-302
Structural Information
- Molecular Formula
- C17H10O5
- SMILES
- C1=CC=C2C(=C1)C(=COC2=O)C(=O)C3=CC=C(C=C3)C(=O)O
- InChI
- InChI=1S/C17H10O5/c18-15(10-5-7-11(8-6-10)16(19)20)14-9-22-17(21)13-4-2-1-3-12(13)14/h1-9H,(H,19,20)
- InChIKey
- DBUCIYXZJLGTJN-UHFFFAOYSA-N
- Compound name
- 4-(1-oxoisochromene-4-carbonyl)benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 295.06011 | 161.8 |
[M+Na]+ | 317.04205 | 170.7 |
[M-H]- | 293.04555 | 169.6 |
[M+NH4]+ | 312.08665 | 175.7 |
[M+K]+ | 333.01599 | 168.2 |
[M+H-H2O]+ | 277.05009 | 154.0 |
[M+HCOO]- | 339.05103 | 182.0 |
[M+CH3COO]- | 353.06668 | 200.1 |
[M+Na-2H]- | 315.02750 | 167.4 |
[M]+ | 294.05228 | 164.5 |
[M]- | 294.05338 | 164.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.