CID 104457

53285-95-3

Structural Information

Molecular Formula

C₁₀H₁₂FN₃O₂

SMILES

CNC(=O)N(C)C(=O)NC1=CC=CC=C1F

InChI

InChI=1S/C10H12FN3O2/c1-12-9(15)14(2)10(16)13-8-6-4-3-5-7(8)11/h3-6H,1-2H3,(H,12,15)(H,13,16)

InChIKey

YSOVFFJRBQSBAJ-UHFFFAOYSA-N

Compound name

1-[(2-fluorophenyl)carbamoyl]-1,3-dimethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 225.09135 Da
Monoisotopic Mass: 1.7
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]+	226.09863	148.6
[M+Na]+	248.08057	154.3
[M-H]-	224.08407	152.5
[M+NH4]+	243.12517	166.5
[M+K]+	264.05451	154.0
[M+H-H2O]+	208.08861	140.5
[M+HCOO]-	270.08955	174.2
[M+CH3COO]-	284.10520	198.0
[M+Na-2H]-	246.06602	152.5
[M]+	225.09080	146.9
[M]-	225.09190	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe