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: 9
Patents: 277.0926 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	278.099876	158.3
[M+Na]+	300.081818	165.7
[M-H]-	276.085324	158.3
[M+NH4]+	295.126423	174.4
[M+K]+	316.055758	164.2
[M+H-H2O]+	260.089860	150.0
[M+HCOO]-	322.090801	176.5
[M+CH3COO]-	336.106451	198.8
[M+Na-2H]-	298.067266	163.3
[M]+	277.09205142	157.0
[M]-	277.09314858	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe