CID 67616

1-(4-fluorobutyl)-3-phenylurea

Structural Information

Molecular Formula
C11H15FN2O
SMILES
C1=CC=C(C=C1)NC(=O)NCCCCF
InChI
InChI=1S/C11H15FN2O/c12-8-4-5-9-13-11(15)14-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H2,13,14,15)
InChIKey
XBTMHQDIEHDASS-UHFFFAOYSA-N
Compound name
1-(4-fluorobutyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11684 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.12412 147.0
[M+Na]+ 233.10606 156.2
[M+NH4]+ 228.15066 154.0
[M+K]+ 249.08000 149.7
[M-H]- 209.10956 148.2
[M+Na-2H]- 231.09151 152.8
[M]+ 210.11629 148.2
[M]- 210.11739 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.