CID 6453244
55743-21-0
Structural Information
- Molecular Formula
- C16H14O4
- SMILES
- CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC=CC=C3
- InChI
- InChI=1S/C16H14O4/c1-9-11(17)7-12(18)15-13(19)8-14(20-16(9)15)10-5-3-2-4-6-10/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
- InChIKey
- QSRIZZQWNHKERT-AWEZNQCLSA-N
- Compound name
- (2S)-5,7-dihydroxy-8-methyl-2-phenyl-2,3-dihydrochromen-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 271.09648 | 158.9 |
[M+Na]+ | 293.07842 | 167.8 |
[M-H]- | 269.08192 | 165.3 |
[M+NH4]+ | 288.12302 | 174.0 |
[M+K]+ | 309.05236 | 164.5 |
[M+H-H2O]+ | 253.08646 | 151.9 |
[M+HCOO]- | 315.08740 | 176.5 |
[M+CH3COO]- | 329.10305 | 195.3 |
[M+Na-2H]- | 291.06387 | 163.5 |
[M]+ | 270.08865 | 158.6 |
[M]- | 270.08975 | 158.6 |