CID 9514

332-33-2

Structural Information

Molecular Formula

C₉H₁₁FN₂O

SMILES

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

InChI

InChI=1S/C9H11FN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)

InChIKey

GNIZUUCYAIPGKZ-UHFFFAOYSA-N

Compound name

3-(4-fluorophenyl)-1,1-dimethylurea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 10
Patents: 182.08554 Da
Monoisotopic Mass: 1.1
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]+	183.09282	138.1
[M+Na]+	205.07476	148.4
[M+NH4]+	200.11936	145.7
[M+K]+	221.04870	143.0
[M-H]-	181.07826	139.8
[M+Na-2H]-	203.06021	144.5
[M]+	182.08499	139.7
[M]-	182.08609	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe