CID 16227743

2,2,2-trifluoroethyl n-(3-methoxyphenyl)carbamate

Structural Information

Molecular Formula

C₁₀H₁₀F₃NO₃

SMILES

COC1=CC=CC(=C1)NC(=O)OCC(F)(F)F

InChI

InChI=1S/C10H10F3NO3/c1-16-8-4-2-3-7(5-8)14-9(15)17-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15)

InChIKey

KIXJMZBMMCSAIN-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethyl N-(3-methoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 249.06128 Da
Monoisotopic Mass: 3.0
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]+	250.068556	149.3
[M+Na]+	272.050498	157.0
[M-H]-	248.054004	149.1
[M+NH4]+	267.095103	166.3
[M+K]+	288.024438	155.4
[M+H-H2O]+	232.058540	140.5
[M+HCOO]-	294.059481	169.7
[M+CH3COO]-	308.075131	193.0
[M+Na-2H]-	270.035946	154.3
[M]+	249.06073142	147.8
[M]-	249.06182858	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.