CID 3075264
173469-89-1
Structural Information
- Molecular Formula
- C20H17ClO5
- SMILES
- CCC(C1=CC2=C(C=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)Cl)C(=O)O
- InChI
- InChI=1S/C20H17ClO5/c1-3-14(20(23)24)12-6-9-16-15(10-12)17(22)19(25-2)18(26-16)11-4-7-13(21)8-5-11/h4-10,14H,3H2,1-2H3,(H,23,24)
- InChIKey
- ZDKKXZIAGZMERT-UHFFFAOYSA-N
- Compound name
- 2-[2-(4-chlorophenyl)-3-methoxy-4-oxochromen-6-yl]butanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 373.08373 | 182.6 |
[M+Na]+ | 395.06567 | 192.4 |
[M-H]- | 371.06917 | 190.4 |
[M+NH4]+ | 390.11027 | 195.0 |
[M+K]+ | 411.03961 | 188.6 |
[M+H-H2O]+ | 355.07371 | 175.4 |
[M+HCOO]- | 417.07465 | 197.1 |
[M+CH3COO]- | 431.09030 | 215.9 |
[M+Na-2H]- | 393.05112 | 184.8 |
[M]+ | 372.07590 | 190.3 |
[M]- | 372.07700 | 190.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.