CID 3617630

1-butyl-3-(4-fluorophenyl)urea

Structural Information

Molecular Formula
C11H15FN2O
SMILES
CCCCNC(=O)NC1=CC=C(C=C1)F
InChI
InChI=1S/C11H15FN2O/c1-2-3-8-13-11(15)14-10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3,(H2,13,14,15)
InChIKey
PRPGVJISWYATAU-UHFFFAOYSA-N
Compound name
1-butyl-3-(4-fluorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 146.3
[M+Na]+ 233.10606 152.3
[M-H]- 209.10956 148.5
[M+NH4]+ 228.15066 164.7
[M+K]+ 249.08000 149.7
[M+H-H2O]+ 193.11410 138.7
[M+HCOO]- 255.11504 170.7
[M+CH3COO]- 269.13069 191.6
[M+Na-2H]- 231.09151 151.4
[M]+ 210.11629 144.6
[M]- 210.11739 144.6
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

patents stripe