CID 1562738

18584-97-9

Structural Information

Molecular Formula

C₁₂H₁₄F₃NO₂

SMILES

CCCCOC(=O)NC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C12H14F3NO2/c1-2-3-7-18-11(17)16-10-6-4-5-9(8-10)12(13,14)15/h4-6,8H,2-3,7H2,1H3,(H,16,17)

InChIKey

XXDXWOMIHNDYTJ-UHFFFAOYSA-N

Compound name

butyl N-[3-(trifluoromethyl)phenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 261.09766 Da
Monoisotopic Mass: 4.0
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]+	262.104936	155.8
[M+Na]+	284.086878	162.8
[M-H]-	260.090384	155.4
[M+NH4]+	279.131483	172.4
[M+K]+	300.060818	160.1
[M+H-H2O]+	244.094920	146.9
[M+HCOO]-	306.095861	175.3
[M+CH3COO]-	320.111511	196.9
[M+Na-2H]-	282.072326	159.6
[M]+	261.09711142	153.7
[M]-	261.09820858	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe