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]+ 229.114696 148.9
[M+Na]+ 251.096638 155.8
[M-H]- 227.100144 149.9
[M+NH4]+ 246.141243 166.7
[M+K]+ 267.070578 152.8
[M+H-H2O]+ 211.104680 140.4
[M+HCOO]- 273.105621 172.1
[M+CH3COO]- 287.121271 195.6
[M+Na-2H]- 249.082086 152.6
[M]+ 228.10687142 146.3
[M]- 228.10796858 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.