CID 98435

6798-33-0

Structural Information

Molecular Formula

C₁₀H₁₀F₃NO₃

SMILES

C1=CC=C(C=C1)COC(=O)NC(C(F)(F)F)O

InChI

InChI=1S/C10H10F3NO3/c11-10(12,13)8(15)14-9(16)17-6-7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H,14,16)

InChIKey

HXWXCYLZKBKLEX-UHFFFAOYSA-N

Compound name

benzyl N-(2,2,2-trifluoro-1-hydroxyethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 249.06128 Da
Monoisotopic Mass: 2.0
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	149.8
[M+Na]+	272.050498	155.8
[M-H]-	248.054004	147.9
[M+NH4]+	267.095103	165.6
[M+K]+	288.024438	153.8
[M+H-H2O]+	232.058540	141.1
[M+HCOO]-	294.059481	167.7
[M+CH3COO]-	308.075131	190.1
[M+Na-2H]-	270.035946	153.8
[M]+	249.06073142	145.4
[M]-	249.06182858	145.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.