CID 23583338

Benzyl 2,2,2-trifluoro-n-phenylacetimidate

Structural Information

Molecular Formula
C15H12F3NO
SMILES
C1=CC=C(C=C1)COC(=NC2=CC=CC=C2)C(F)(F)F
InChI
InChI=1S/C15H12F3NO/c16-15(17,18)14(19-13-9-5-2-6-10-13)20-11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKey
KVGZVQNJUZHPJJ-UHFFFAOYSA-N
Compound name
benzyl 2,2,2-trifluoro-N-phenylethanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

279.0871 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09438 160.3
[M+Na]+ 302.07632 166.9
[M-H]- 278.07982 164.0
[M+NH4]+ 297.12092 176.1
[M+K]+ 318.05026 163.0
[M+H-H2O]+ 262.08436 149.7
[M+HCOO]- 324.08530 181.5
[M+CH3COO]- 338.10095 201.0
[M+Na-2H]- 300.06177 166.2
[M]+ 279.08655 156.9
[M]- 279.08765 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe