CID 16205358
82941-06-8
Structural Information
- Molecular Formula
- C19H16Br4O3
- SMILES
- CC(=C)C(=O)OC1=C(C=C(C=C1Br)C(C)(C)C2=CC(=C(C(=C2)Br)O)Br)Br
- InChI
- InChI=1S/C19H16Br4O3/c1-9(2)18(25)26-17-14(22)7-11(8-15(17)23)19(3,4)10-5-12(20)16(24)13(21)6-10/h5-8,24H,1H2,2-4H3
- InChIKey
- JBGLUFHZMYDKGF-UHFFFAOYSA-N
- Compound name
- [2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl] 2-methylprop-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 608.79054 | 181.0 |
[M+Na]+ | 630.77248 | 185.5 |
[M-H]- | 606.77598 | 185.2 |
[M+NH4]+ | 625.81708 | 188.3 |
[M+K]+ | 646.74642 | 172.7 |
[M+H-H2O]+ | 590.78052 | 197.8 |
[M+HCOO]- | 652.78146 | 183.9 |
[M+CH3COO]- | 666.79711 | 246.1 |
[M+Na-2H]- | 628.75793 | 179.4 |
[M]+ | 607.78271 | 219.4 |
[M]- | 607.78381 | 219.4 |
Literature stripe
No literature data available for this compound.