CID 3013886
2-(4-fluorophenyl)-3-oxobutanenitrile
Structural Information
- Molecular Formula
- C10H8FNO
- SMILES
- CC(=O)C(C#N)C1=CC=C(C=C1)F
- InChI
- InChI=1S/C10H8FNO/c1-7(13)10(6-12)8-2-4-9(11)5-3-8/h2-5,10H,1H3
- InChIKey
- BASLPLDKFVWJLO-UHFFFAOYSA-N
- Compound name
- 2-(4-fluorophenyl)-3-oxobutanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 178.06627 | 139.0 |
[M+Na]+ | 200.04821 | 150.5 |
[M+NH4]+ | 195.09281 | 143.3 |
[M+K]+ | 216.02215 | 141.4 |
[M-H]- | 176.05171 | 132.0 |
[M+Na-2H]- | 198.03366 | 142.3 |
[M]+ | 177.05844 | 137.7 |
[M]- | 177.05954 | 137.7 |
Literature stripe
No literature data available for this compound.