CID 136086370
72765-60-7
Structural Information
- Molecular Formula
- C16H12N2O7S2
- SMILES
- C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)O
- InChI
- InChI=1S/C16H12N2O7S2/c19-14-7-5-10-3-1-2-4-12(10)16(14)18-17-13-9-11(26(20,21)22)6-8-15(13)27(23,24)25/h1-9,19H,(H,20,21,22)(H,23,24,25)
- InChIKey
- JRPWWCKQCKBWEU-UHFFFAOYSA-N
- Compound name
- 2-[(2-hydroxynaphthalen-1-yl)diazenyl]benzene-1,4-disulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 409.01588 | 187.2 |
[M+Na]+ | 430.99782 | 194.9 |
[M-H]- | 407.00132 | 192.8 |
[M+NH4]+ | 426.04242 | 197.3 |
[M+K]+ | 446.97176 | 189.6 |
[M+H-H2O]+ | 391.00586 | 179.6 |
[M+HCOO]- | 453.00680 | 199.2 |
[M+CH3COO]- | 467.02245 | 218.4 |
[M+Na-2H]- | 428.98327 | 195.9 |
[M]+ | 408.00805 | 192.1 |
[M]- | 408.00915 | 192.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.