CID 4590083

1-butyl-3-(2,5-difluorophenyl)urea

Structural Information

Molecular Formula
C11H14F2N2O
SMILES
CCCCNC(=O)NC1=C(C=CC(=C1)F)F
InChI
InChI=1S/C11H14F2N2O/c1-2-3-6-14-11(16)15-10-7-8(12)4-5-9(10)13/h4-5,7H,2-3,6H2,1H3,(H2,14,15,16)
InChIKey
PWIZHXDLCYNBFC-UHFFFAOYSA-N
Compound name
1-butyl-3-(2,5-difluorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.10742 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.11470 150.2
[M+Na]+ 251.09664 159.0
[M+NH4]+ 246.14124 156.2
[M+K]+ 267.07058 153.1
[M-H]- 227.10014 149.8
[M+Na-2H]- 249.08209 154.6
[M]+ 228.10687 150.9
[M]- 228.10797 150.9
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.