CID 3259703

1,3-bis(3-fluorophenyl)urea

Structural Information

Molecular Formula

C₁₃H₁₀F₂N₂O

SMILES

C1=CC(=CC(=C1)F)NC(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C13H10F2N2O/c14-9-3-1-5-11(7-9)16-13(18)17-12-6-2-4-10(15)8-12/h1-8H,(H2,16,17,18)

InChIKey

BYAWSEIGDSOCFJ-UHFFFAOYSA-N

Compound name

1,3-bis(3-fluorophenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 248.07613 Da
Monoisotopic Mass: 3.2
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]+	249.08341	153.3
[M+Na]+	271.06535	164.6
[M+NH4]+	266.10995	160.3
[M+K]+	287.03929	157.8
[M-H]-	247.06885	155.7
[M+Na-2H]-	269.05080	161.4
[M]+	248.07558	155.3
[M]-	248.07668	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe