CID 4532741
4-(n-(2,4,6-trinitrophenyl)amino)phenyl sulfone
Structural Information
- Molecular Formula
- C24H14N8O14S
- SMILES
- C1=CC(=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)NC4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
- InChI
- InChI=1S/C24H14N8O14S/c33-27(34)15-9-19(29(37)38)23(20(10-15)30(39)40)25-13-1-5-17(6-2-13)47(45,46)18-7-3-14(4-8-18)26-24-21(31(41)42)11-16(28(35)36)12-22(24)32(43)44/h1-12,25-26H
- InChIKey
- UVKHBEXPZGDPBX-UHFFFAOYSA-N
- Compound name
- 2,4,6-trinitro-N-[4-[4-(2,4,6-trinitroanilino)phenyl]sulfonylphenyl]aniline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 671.04231 | 233.7 |
[M+Na]+ | 693.02425 | 234.3 |
[M-H]- | 669.02775 | 233.7 |
[M+NH4]+ | 688.06885 | 234.2 |
[M+K]+ | 708.99819 | 235.0 |
[M+H-H2O]+ | 653.03229 | 233.8 |
[M+HCOO]- | 715.03323 | 235.3 |
[M+CH3COO]- | 729.04888 | 233.8 |
[M+Na-2H]- | 691.00970 | 236.2 |
[M]+ | 670.03448 | 234.1 |
[M]- | 670.03558 | 234.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.