CID 92438
56527-65-2
Structural Information
- Molecular Formula
- C8H4N2O4S2
- SMILES
- C1=C(SC(=C1)[N+](=O)[O-])C2=NC(=CS2)C(=O)O
- InChI
- InChI=1S/C8H4N2O4S2/c11-8(12)4-3-15-7(9-4)5-1-2-6(16-5)10(13)14/h1-3H,(H,11,12)
- InChIKey
- SNNIGNLXYVEYOC-UHFFFAOYSA-N
- Compound name
- 2-(5-nitrothiophen-2-yl)-1,3-thiazole-4-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 256.96852 | 152.0 |
[M+Na]+ | 278.95046 | 161.5 |
[M-H]- | 254.95396 | 157.9 |
[M+NH4]+ | 273.99506 | 170.2 |
[M+K]+ | 294.92440 | 153.7 |
[M+H-H2O]+ | 238.95850 | 150.8 |
[M+HCOO]- | 300.95944 | 168.2 |
[M+CH3COO]- | 314.97509 | 180.2 |
[M+Na-2H]- | 276.93591 | 153.4 |
[M]+ | 255.96069 | 153.8 |
[M]- | 255.96179 | 153.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.