CID 1280263

1-ethyl-3-(3-trifluoromethyl-phenyl)-urea

Structural Information

Molecular Formula

C₁₀H₁₁F₃N₂O

SMILES

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

InChI

InChI=1S/C10H11F3N2O/c1-2-14-9(16)15-8-5-3-4-7(6-8)10(11,12)13/h3-6H,2H2,1H3,(H2,14,15,16)

InChIKey

FGRDDASXWCZPIQ-UHFFFAOYSA-N

Compound name

1-ethyl-3-[3-(trifluoromethyl)phenyl]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 232.08235 Da
Monoisotopic Mass: 2.8
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]+	233.089626	147.1
[M+Na]+	255.071568	154.1
[M-H]-	231.075074	147.0
[M+NH4]+	250.116173	164.6
[M+K]+	271.045508	151.4
[M+H-H2O]+	215.079610	138.4
[M+HCOO]-	277.080551	168.1
[M+CH3COO]-	291.096201	193.8
[M+Na-2H]-	253.057016	152.3
[M]+	232.08180142	142.0
[M]-	232.08289858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe