CID 9514

N'-(4-fluorophenyl)-n,n-dimethylurea

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: 15
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]+	183.092816	137.3
[M+Na]+	205.074758	144.3
[M-H]-	181.078264	141.3
[M+NH4]+	200.119363	157.4
[M+K]+	221.048698	143.7
[M+H-H2O]+	165.082800	129.9
[M+HCOO]-	227.083741	162.8
[M+CH3COO]-	241.099391	189.0
[M+Na-2H]-	203.060206	142.7
[M]+	182.08499142	136.1
[M]-	182.08608858	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe