CID 46943413
3-ethynylbenzenesulfonamide
Structural Information
- Molecular Formula
- C8H7NO2S
- SMILES
- C#CC1=CC(=CC=C1)S(=O)(=O)N
- InChI
- InChI=1S/C8H7NO2S/c1-2-7-4-3-5-8(6-7)12(9,10)11/h1,3-6H,(H2,9,10,11)
- InChIKey
- WGEWFHNQCHZZMF-UHFFFAOYSA-N
- Compound name
- 3-ethynylbenzenesulfonamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 182.02702 | 145.9 |
[M+Na]+ | 204.00896 | 157.1 |
[M-H]- | 180.01246 | 148.7 |
[M+NH4]+ | 199.05356 | 163.8 |
[M+K]+ | 219.98290 | 153.2 |
[M+H-H2O]+ | 164.01700 | 134.6 |
[M+HCOO]- | 226.01794 | 159.4 |
[M+CH3COO]- | 240.03359 | 186.9 |
[M+Na-2H]- | 201.99441 | 148.8 |
[M]+ | 181.01919 | 141.0 |
[M]- | 181.02029 | 141.0 |