CID 75969
Dibenzoyl-l-tartaric acid
Structural Information
- Molecular Formula
- C18H14O8
- SMILES
- C1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O
- InChI
- InChI=1S/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)/t13-,14-/m1/s1
- InChIKey
- YONLFQNRGZXBBF-ZIAGYGMSSA-N
- Compound name
- (2R,3R)-2,3-dibenzoyloxybutanedioic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 359.07616 | 176.8 |
[M+Na]+ | 381.05810 | 179.2 |
[M-H]- | 357.06160 | 180.0 |
[M+NH4]+ | 376.10270 | 186.1 |
[M+K]+ | 397.03204 | 179.1 |
[M+H-H2O]+ | 341.06614 | 168.6 |
[M+HCOO]- | 403.06708 | 193.2 |
[M+CH3COO]- | 417.08273 | 207.2 |
[M+Na-2H]- | 379.04355 | 175.3 |
[M]+ | 358.06833 | 178.3 |
[M]- | 358.06943 | 178.3 |