CID 5140636

Akos024336815

Structural Information

Molecular Formula

C₁₁H₉FN₄O

SMILES

C1=CC=C(C(=C1)NC(=O)NC2=NC=CC=N2)F

InChI

InChI=1S/C11H9FN4O/c12-8-4-1-2-5-9(8)15-11(17)16-10-13-6-3-7-14-10/h1-7H,(H2,13,14,15,16,17)

InChIKey

JZCOLLQCNVSDIY-UHFFFAOYSA-N

Compound name

1-(2-fluorophenyl)-3-pyrimidin-2-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 232.07603 Da
Monoisotopic Mass: 1.0
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]+	233.08331	148.0
[M+Na]+	255.06525	155.3
[M-H]-	231.06875	150.9
[M+NH4]+	250.10985	162.2
[M+K]+	271.03919	151.4
[M+H-H2O]+	215.07329	137.8
[M+HCOO]-	277.07423	171.2
[M+CH3COO]-	291.08988	192.8
[M+Na-2H]-	253.05070	156.3
[M]+	232.07548	144.9
[M]-	232.07658	144.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.