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]+	234.07364	151.8
[M+Na]+	256.05558	159.6
[M+NH4]+	251.10018	156.5
[M+K]+	272.02952	155.0
[M-H]-	232.05908	148.5
[M+Na-2H]-	254.04103	155.3
[M]+	233.06581	151.5
[M]-	233.06691	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe