CID 102198079
Ns00001441
Structural Information
- Molecular Formula
- C18H16Br4O2
- SMILES
- CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)OCC=C)Br
- InChI
- InChI=1S/C18H16Br4O2/c1-4-5-24-17-14(21)8-11(9-15(17)22)18(2,3)10-6-12(19)16(23)13(20)7-10/h4,6-9,23H,1,5H2,2-3H3
- InChIKey
- HFVNWWDHRKGHJP-UHFFFAOYSA-N
- Compound name
- 2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 580.79568 | 175.7 |
[M+Na]+ | 602.77762 | 180.8 |
[M-H]- | 578.78112 | 180.0 |
[M+NH4]+ | 597.82222 | 183.6 |
[M+K]+ | 618.75156 | 167.7 |
[M+H-H2O]+ | 562.78566 | 192.9 |
[M+HCOO]- | 624.78660 | 179.5 |
[M+CH3COO]- | 638.80225 | 244.4 |
[M+Na-2H]- | 600.76307 | 175.4 |
[M]+ | 579.78785 | 214.4 |
[M]- | 579.78895 | 214.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.