CID 19646
Tenonitrozole
Structural Information
- Molecular Formula
- C8H5N3O3S2
- SMILES
- C1=CSC(=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-]
- InChI
- InChI=1S/C8H5N3O3S2/c12-7(5-2-1-3-15-5)10-8-9-4-6(16-8)11(13)14/h1-4H,(H,9,10,12)
- InChIKey
- ZLOXYEZYWCTXHU-UHFFFAOYSA-N
- Compound name
- N-(5-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 255.98451 | 151.6 |
[M+Na]+ | 277.96645 | 160.2 |
[M-H]- | 253.96995 | 158.4 |
[M+NH4]+ | 273.01105 | 170.0 |
[M+K]+ | 293.94039 | 152.6 |
[M+H-H2O]+ | 237.97449 | 149.4 |
[M+HCOO]- | 299.97543 | 169.9 |
[M+CH3COO]- | 313.99108 | 183.7 |
[M+Na-2H]- | 275.95190 | 154.5 |
[M]+ | 254.97668 | 152.6 |
[M]- | 254.97778 | 152.6 |