CID 257024
2,5-dibromo-3,4-dinitrothiophene
Structural Information
- Molecular Formula
- C4Br2N2O4S
- SMILES
- C1(=C(SC(=C1[N+](=O)[O-])Br)Br)[N+](=O)[O-]
- InChI
- InChI=1S/C4Br2N2O4S/c5-3-1(7(9)10)2(8(11)12)4(6)13-3
- InChIKey
- AHGHPBPARMANQD-UHFFFAOYSA-N
- Compound name
- 2,5-dibromo-3,4-dinitrothiophene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 330.80184 | 149.8 |
[M+Na]+ | 352.78378 | 161.0 |
[M-H]- | 328.78728 | 157.2 |
[M+NH4]+ | 347.82838 | 167.9 |
[M+K]+ | 368.75772 | 139.1 |
[M+H-H2O]+ | 312.79182 | 162.4 |
[M+HCOO]- | 374.79276 | 164.8 |
[M+CH3COO]- | 388.80841 | 197.1 |
[M+Na-2H]- | 350.76923 | 156.0 |
[M]+ | 329.79401 | 183.0 |
[M]- | 329.79511 | 183.0 |