CID 45791830
2-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile
Structural Information
- Molecular Formula
- C12H12F3NO2
- SMILES
- CCOC1=C(C=CC(=C1)CC#N)OCC(F)(F)F
- InChI
- InChI=1S/C12H12F3NO2/c1-2-17-11-7-9(5-6-16)3-4-10(11)18-8-12(13,14)15/h3-4,7H,2,5,8H2,1H3
- InChIKey
- WBYXSJVUAPIXOE-UHFFFAOYSA-N
- Compound name
- 2-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 260.08928 | 150.1 |
[M+Na]+ | 282.07122 | 160.1 |
[M-H]- | 258.07472 | 149.7 |
[M+NH4]+ | 277.11582 | 165.4 |
[M+K]+ | 298.04516 | 157.2 |
[M+H-H2O]+ | 242.07926 | 135.4 |
[M+HCOO]- | 304.08020 | 166.3 |
[M+CH3COO]- | 318.09585 | 206.6 |
[M+Na-2H]- | 280.05667 | 154.1 |
[M]+ | 259.08145 | 145.3 |
[M]- | 259.08255 | 145.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.