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 163.5
[M+Na]+ 318.07122 170.5
[M-H]- 294.07472 166.2
[M+NH4]+ 313.11582 178.1
[M+K]+ 334.04516 166.3
[M+H-H2O]+ 278.07926 153.2
[M+HCOO]- 340.08020 183.4
[M+CH3COO]- 354.09585 201.6
[M+Na-2H]- 316.05667 168.3
[M]+ 295.08145 160.0
[M]- 295.08255 160.0
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