CID 3697950

2648-11-5

Structural Information

Molecular Formula
C15H12F3NO2
SMILES
C1=CC=C(C=C1)C(C(F)(F)F)OC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C15H12F3NO2/c16-15(17,18)13(11-7-3-1-4-8-11)21-14(20)19-12-9-5-2-6-10-12/h1-10,13H,(H,19,20)
InChIKey
KXLYRPXGMALCIH-UHFFFAOYSA-N
Compound name
(2,2,2-trifluoro-1-phenylethyl) N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.082 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.08928 163.4
[M+Na]+ 318.07122 169.1
[M-H]- 294.07472 165.8
[M+NH4]+ 313.11582 177.7
[M+K]+ 334.04516 165.5
[M+H-H2O]+ 278.07926 153.0
[M+HCOO]- 340.08020 182.3
[M+CH3COO]- 354.09585 201.3
[M+Na-2H]- 316.05667 167.8
[M]+ 295.08145 158.9
[M]- 295.08255 158.9
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

No patent data available for this compound.