CID 3074733
1-propanone, 3-(dimethylamino)-1-(2-fluoro-4,5-dimethoxyphenyl)-, hydrochloride
Structural Information
- Molecular Formula
- C13H18FNO3
- SMILES
- CN(C)CCC(=O)C1=CC(=C(C=C1F)OC)OC
- InChI
- InChI=1S/C13H18FNO3/c1-15(2)6-5-11(16)9-7-12(17-3)13(18-4)8-10(9)14/h7-8H,5-6H2,1-4H3
- InChIKey
- JVFNPFVFRFKKTD-UHFFFAOYSA-N
- Compound name
- 3-(dimethylamino)-1-(2-fluoro-4,5-dimethoxyphenyl)propan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 256.13436 | 156.0 |
[M+Na]+ | 278.11630 | 163.7 |
[M-H]- | 254.11980 | 160.0 |
[M+NH4]+ | 273.16090 | 173.9 |
[M+K]+ | 294.09024 | 163.3 |
[M+H-H2O]+ | 238.12434 | 148.3 |
[M+HCOO]- | 300.12528 | 179.6 |
[M+CH3COO]- | 314.14093 | 204.0 |
[M+Na-2H]- | 276.10175 | 157.7 |
[M]+ | 255.12653 | 160.9 |
[M]- | 255.12763 | 160.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.