CID 121553179
3-(1-amino-2,2,2-trifluoroethyl)-2-fluoroaniline
Structural Information
- Molecular Formula
- C8H8F4N2
- SMILES
- C1=CC(=C(C(=C1)N)F)C(C(F)(F)F)N
- InChI
- InChI=1S/C8H8F4N2/c9-6-4(2-1-3-5(6)13)7(14)8(10,11)12/h1-3,7H,13-14H2
- InChIKey
- YGRAUONZEGMBMX-UHFFFAOYSA-N
- Compound name
- 3-(1-amino-2,2,2-trifluoroethyl)-2-fluoroaniline
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 209.06964 | 139.0 |
[M+Na]+ | 231.05158 | 147.4 |
[M-H]- | 207.05508 | 137.0 |
[M+NH4]+ | 226.09618 | 157.0 |
[M+K]+ | 247.02552 | 144.1 |
[M+H-H2O]+ | 191.05962 | 130.0 |
[M+HCOO]- | 253.06056 | 157.7 |
[M+CH3COO]- | 267.07621 | 190.8 |
[M+Na-2H]- | 229.03703 | 141.6 |
[M]+ | 208.06181 | 129.7 |
[M]- | 208.06291 | 129.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.