CID 209185

19420-45-2

Structural Information

Molecular Formula

C₁₀H₁₀F₃NO₃

SMILES

CCOC(=O)OC1=C(C=C(C=C1)C(F)(F)F)N

InChI

InChI=1S/C10H10F3NO3/c1-2-16-9(15)17-8-4-3-6(5-7(8)14)10(11,12)13/h3-5H,2,14H2,1H3

InChIKey

VEACMVSUSKECKC-UHFFFAOYSA-N

Compound name

[2-amino-4-(trifluoromethyl)phenyl] ethyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 249.06128 Da
Monoisotopic Mass: 2.6
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	149.5
[M+Na]+	272.050498	158.1
[M-H]-	248.054004	149.2
[M+NH4]+	267.095103	166.5
[M+K]+	288.024438	156.2
[M+H-H2O]+	232.058540	141.0
[M+HCOO]-	294.059481	169.2
[M+CH3COO]-	308.075131	193.6
[M+Na-2H]-	270.035946	152.7
[M]+	249.06073142	147.4
[M]-	249.06182858	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.