CID 6435370
Brn 4531262
Structural Information
- Molecular Formula
- C16H11BrO6
- SMILES
- C1=CC(=C(C=C1/C=C/C(=O)C2=CC(=C(C=C2O)O)Br)C(=O)O)O
- InChI
- InChI=1S/C16H11BrO6/c17-11-6-9(14(20)7-15(11)21)12(18)3-1-8-2-4-13(19)10(5-8)16(22)23/h1-7,19-21H,(H,22,23)/b3-1+
- InChIKey
- JSUDHEGPDOJCMT-HNQUOIGGSA-N
- Compound name
- 5-[(E)-3-(5-bromo-2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]-2-hydroxybenzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 378.98118 | 173.6 |
[M+Na]+ | 400.96312 | 183.5 |
[M-H]- | 376.96662 | 178.1 |
[M+NH4]+ | 396.00772 | 186.5 |
[M+K]+ | 416.93706 | 170.9 |
[M+H-H2O]+ | 360.97116 | 172.2 |
[M+HCOO]- | 422.97210 | 188.3 |
[M+CH3COO]- | 436.98775 | 205.4 |
[M+Na-2H]- | 398.94857 | 173.9 |
[M]+ | 377.97335 | 191.3 |
[M]- | 377.97445 | 191.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.