CID 2821917
5-amino-1,3-dihydro-2lambda6-benzothiophene-2,2-dione
Structural Information
- Molecular Formula
- C8H9NO2S
- SMILES
- C1C2=C(CS1(=O)=O)C=C(C=C2)N
- InChI
- InChI=1S/C8H9NO2S/c9-8-2-1-6-4-12(10,11)5-7(6)3-8/h1-3H,4-5,9H2
- InChIKey
- HFUIQDXPKOCDLV-UHFFFAOYSA-N
- Compound name
- 2,2-dioxo-1,3-dihydro-2-benzothiophen-5-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 184.04268 | 133.1 |
[M+Na]+ | 206.02462 | 144.0 |
[M-H]- | 182.02812 | 138.1 |
[M+NH4]+ | 201.06922 | 158.3 |
[M+K]+ | 221.99856 | 140.6 |
[M+H-H2O]+ | 166.03266 | 129.1 |
[M+HCOO]- | 228.03360 | 153.1 |
[M+CH3COO]- | 242.04925 | 178.3 |
[M+Na-2H]- | 204.01007 | 138.1 |
[M]+ | 183.03485 | 134.2 |
[M]- | 183.03595 | 134.2 |