CID 5201332

Benzyl n-[3-(trifluoromethyl)phenyl]carbamate

Structural Information

Molecular Formula
C15H12F3NO2
SMILES
C1=CC=C(C=C1)COC(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C15H12F3NO2/c16-15(17,18)12-7-4-8-13(9-12)19-14(20)21-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20)
InChIKey
KRTABQHKTWKZOZ-UHFFFAOYSA-N
Compound name
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

295.082 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.08928 166.8
[M+Na]+ 318.07122 176.3
[M+NH4]+ 313.11582 172.0
[M+K]+ 334.04516 170.3
[M-H]- 294.07472 166.0
[M+Na-2H]- 316.05667 173.0
[M]+ 295.08145 167.7
[M]- 295.08255 167.7
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