CID 94389

Tetrafluron

Structural Information

Molecular Formula

C₁₁H₁₂F₄N₂O₂

SMILES

CN(C)C(=O)NC1=CC(=CC=C1)OC(C(F)F)(F)F

InChI

InChI=1S/C11H12F4N2O2/c1-17(2)10(18)16-7-4-3-5-8(6-7)19-11(14,15)9(12)13/h3-6,9H,1-2H3,(H,16,18)

InChIKey

FCAKZZMVXCLLHM-UHFFFAOYSA-N

Compound name

1,1-dimethyl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4887
Patents: 280.0835 Da
Monoisotopic Mass: 3.0
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]+	281.09078	157.3
[M+Na]+	303.07272	163.6
[M-H]-	279.07622	157.0
[M+NH4]+	298.11732	173.0
[M+K]+	319.04666	162.7
[M+H-H2O]+	263.08076	147.0
[M+HCOO]-	325.08170	176.5
[M+CH3COO]-	339.09735	206.7
[M+Na-2H]-	301.05817	159.4
[M]+	280.08295	153.4
[M]-	280.08405	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe