CID 61519941
1-(5-fluoropyridin-3-yl)-3-methylbutan-1-one
Structural Information
- Molecular Formula
- C10H12FNO
- SMILES
- CC(C)CC(=O)C1=CC(=CN=C1)F
- InChI
- InChI=1S/C10H12FNO/c1-7(2)3-10(13)8-4-9(11)6-12-5-8/h4-7H,3H2,1-2H3
- InChIKey
- PCJHHOFGPDTQJD-UHFFFAOYSA-N
- Compound name
- 1-(5-fluoropyridin-3-yl)-3-methylbutan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 182.09757 | 137.1 |
[M+Na]+ | 204.07951 | 144.9 |
[M-H]- | 180.08301 | 138.2 |
[M+NH4]+ | 199.12411 | 155.9 |
[M+K]+ | 220.05345 | 143.1 |
[M+H-H2O]+ | 164.08755 | 129.8 |
[M+HCOO]- | 226.08849 | 157.5 |
[M+CH3COO]- | 240.10414 | 183.7 |
[M+Na-2H]- | 202.06496 | 141.2 |
[M]+ | 181.08974 | 136.7 |
[M]- | 181.09084 | 136.7 |
Literature stripe
No literature data available for this compound.