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 158.3
[M+Na]+ 300.08182 165.7
[M-H]- 276.08532 158.3
[M+NH4]+ 295.12642 174.4
[M+K]+ 316.05576 164.2
[M+H-H2O]+ 260.08986 150.0
[M+HCOO]- 322.09080 176.5
[M+CH3COO]- 336.10645 198.8
[M+Na-2H]- 298.06727 163.3
[M]+ 277.09205 157.0
[M]- 277.09315 157.0
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