CID 94881
5-nitro-2-furonitrile
Structural Information
- Molecular Formula
- C5H2N2O3
- SMILES
- C1=C(OC(=C1)[N+](=O)[O-])C#N
- InChI
- InChI=1S/C5H2N2O3/c6-3-4-1-2-5(10-4)7(8)9/h1-2H
- InChIKey
- DUJNJLFQOODDNJ-UHFFFAOYSA-N
- Compound name
- 5-nitrofuran-2-carbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 139.01383 | 127.6 |
[M+Na]+ | 160.99577 | 138.1 |
[M-H]- | 136.99927 | 131.6 |
[M+NH4]+ | 156.04037 | 146.6 |
[M+K]+ | 176.96971 | 134.1 |
[M+H-H2O]+ | 121.00381 | 119.7 |
[M+HCOO]- | 183.00475 | 150.4 |
[M+CH3COO]- | 197.02040 | 179.0 |
[M+Na-2H]- | 158.98122 | 135.8 |
[M]+ | 138.00600 | 122.6 |
[M]- | 138.00710 | 122.6 |