CID 23247604

Tert-butyl n-[3-(trifluoromethoxy)phenyl]carbamate

Structural Information

Molecular Formula
C12H14F3NO3
SMILES
CC(C)(C)OC(=O)NC1=CC(=CC=C1)OC(F)(F)F
InChI
InChI=1S/C12H14F3NO3/c1-11(2,3)19-10(17)16-8-5-4-6-9(7-8)18-12(13,14)15/h4-7H,1-3H3,(H,16,17)
InChIKey
SAQHODCHBIFMJB-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(trifluoromethoxy)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

277.0926 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09988 163.5
[M+Na]+ 300.08182 170.1
[M+NH4]+ 295.12642 167.2
[M+K]+ 316.05576 166.8
[M-H]- 276.08532 159.1
[M+Na-2H]- 298.06727 166.0
[M]+ 277.09205 162.8
[M]- 277.09315 162.8
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