CID 75915
2702-33-2
Structural Information
- Molecular Formula
- C16H8Br4N2O8S2
- SMILES
- C1=C(C=C(C2=C1C(=C(N2)C3=C(C4=C(N3)C(=CC(=C4)Br)Br)OS(=O)(=O)O)OS(=O)(=O)O)Br)Br
- InChI
- InChI=1S/C16H8Br4N2O8S2/c17-5-1-7-11(9(19)3-5)21-13(15(7)29-31(23,24)25)14-16(30-32(26,27)28)8-2-6(18)4-10(20)12(8)22-14/h1-4,21-22H,(H,23,24,25)(H,26,27,28)
- InChIKey
- LAUNVCIBHRGUPM-UHFFFAOYSA-N
- Compound name
- [5,7-dibromo-2-(5,7-dibromo-3-sulfooxy-1H-indol-2-yl)-1H-indol-3-yl] hydrogen sulfate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 736.65285 | 158.6 |
[M+Na]+ | 758.63479 | 164.6 |
[M-H]- | 734.63829 | 162.5 |
[M+NH4]+ | 753.67939 | 165.2 |
[M+K]+ | 774.60873 | 154.1 |
[M+H-H2O]+ | 718.64283 | 177.3 |
[M+HCOO]- | 780.64377 | 159.3 |
[M+CH3COO]- | 794.65942 | 247.6 |
[M+Na-2H]- | 756.62024 | 162.1 |
[M]+ | 735.64502 | 198.4 |
[M]- | 735.64612 | 198.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.