CID 68332

1,3-bis(4-fluorobutyl)urea

Structural Information

Molecular Formula

C₉H₁₈F₂N₂O

SMILES

C(CCF)CNC(=O)NCCCCF

InChI

InChI=1S/C9H18F2N2O/c10-5-1-3-7-12-9(14)13-8-4-2-6-11/h1-8H2,(H2,12,13,14)

InChIKey

MAAYIFAKYKANLE-UHFFFAOYSA-N

Compound name

1,3-bis(4-fluorobutyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.13872 Da
Monoisotopic Mass: 1.5
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]+	209.14600	147.4
[M+Na]+	231.12794	151.8
[M-H]-	207.13144	144.2
[M+NH4]+	226.17254	165.6
[M+K]+	247.10188	150.2
[M+H-H2O]+	191.13598	139.4
[M+HCOO]-	253.13692	169.5
[M+CH3COO]-	267.15257	192.0
[M+Na-2H]-	229.11339	150.8
[M]+	208.13817	145.6
[M]-	208.13927	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.