CID 78281
5-nitrothiophene-2-carbaldehyde
Structural Information
- Molecular Formula
- C5H3NO3S
- SMILES
- C1=C(SC(=C1)[N+](=O)[O-])C=O
- InChI
- InChI=1S/C5H3NO3S/c7-3-4-1-2-5(10-4)6(8)9/h1-3H
- InChIKey
- CHTSWZNXEKOLPM-UHFFFAOYSA-N
- Compound name
- 5-nitrothiophene-2-carbaldehyde
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 157.99065 | 128.2 |
[M+Na]+ | 179.97259 | 137.2 |
[M-H]- | 155.97609 | 132.8 |
[M+NH4]+ | 175.01719 | 150.6 |
[M+K]+ | 195.94653 | 131.6 |
[M+H-H2O]+ | 139.98063 | 127.8 |
[M+HCOO]- | 201.98157 | 150.9 |
[M+CH3COO]- | 215.99722 | 166.7 |
[M+Na-2H]- | 177.95804 | 133.2 |
[M]+ | 156.98282 | 128.9 |
[M]- | 156.98392 | 128.9 |