CID 14598433
Einecs 282-941-9
Structural Information
- Molecular Formula
- C20H6Br4Cl4O5
- SMILES
- C1=C2C(C3=CC(=C(C(=C3OC2=C(C(=C1Br)O)Br)Br)O)Br)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O
- InChI
- InChI=1S/C20H6Br4Cl4O5/c21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29/h1-2,7,29-30H,(H,31,32)
- InChIKey
- HKTUQAWIWHQYCO-UHFFFAOYSA-N
- Compound name
- 2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 782.57753 | 188.6 |
[M+Na]+ | 804.55947 | 194.5 |
[M-H]- | 780.56297 | 191.9 |
[M+NH4]+ | 799.60407 | 194.0 |
[M+K]+ | 820.53341 | 183.5 |
[M+H-H2O]+ | 764.56751 | 204.3 |
[M+HCOO]- | 826.56845 | 183.2 |
[M+CH3COO]- | 840.58410 | 192.4 |
[M+Na-2H]- | 802.54492 | 185.9 |
[M]+ | 781.56970 | 224.4 |
[M]- | 781.57080 | 224.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.