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 148.9
[M+Na]+ 251.09664 155.8
[M-H]- 227.10014 149.9
[M+NH4]+ 246.14124 166.7
[M+K]+ 267.07058 152.8
[M+H-H2O]+ 211.10468 140.4
[M+HCOO]- 273.10562 172.1
[M+CH3COO]- 287.12127 195.6
[M+Na-2H]- 249.08209 152.6
[M]+ 228.10687 146.3
[M]- 228.10797 146.3
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.