CID 97432
Sulfone, bis(2,4-dinitrophenyl)
Structural Information
- Molecular Formula
- C12H6N4O10S
- SMILES
- C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
- InChI
- InChI=1S/C12H6N4O10S/c17-13(18)7-1-3-11(9(5-7)15(21)22)27(25,26)12-4-2-8(14(19)20)6-10(12)16(23)24/h1-6H
- InChIKey
- AFGYVZLIKYTRAH-UHFFFAOYSA-N
- Compound name
- 1-(2,4-dinitrophenyl)sulfonyl-2,4-dinitrobenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 398.98775 | 196.5 |
[M+Na]+ | 420.96969 | 202.2 |
[M-H]- | 396.97319 | 202.1 |
[M+NH4]+ | 416.01429 | 206.1 |
[M+K]+ | 436.94363 | 198.9 |
[M+H-H2O]+ | 380.97773 | 172.2 |
[M+HCOO]- | 442.97867 | 216.2 |
[M+CH3COO]- | 456.99432 | 197.5 |
[M+Na-2H]- | 418.95514 | 193.2 |
[M]+ | 397.97992 | 186.6 |
[M]- | 397.98102 | 186.6 |