CID 8891630

537-83-7

Structural Information

Molecular Formula

C₁₀H₁₀F₃NO₂

SMILES

CC1=CC=C(C=C1)NC(=O)OCC(F)(F)F

InChI

InChI=1S/C10H10F3NO2/c1-7-2-4-8(5-3-7)14-9(15)16-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15)

InChIKey

MCKVKWZCFNPYCE-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethyl N-(4-methylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 233.06636 Da
Monoisotopic Mass: 3.4
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]+	234.073636	146.4
[M+Na]+	256.055578	154.2
[M-H]-	232.059084	146.3
[M+NH4]+	251.100183	164.1
[M+K]+	272.029518	152.0
[M+H-H2O]+	216.063620	137.9
[M+HCOO]-	278.064561	166.5
[M+CH3COO]-	292.080211	190.9
[M+Na-2H]-	254.041026	151.3
[M]+	233.06581142	143.5
[M]-	233.06690858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe