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]+ 211.124116 146.3
[M+Na]+ 233.106058 152.3
[M-H]- 209.109564 148.5
[M+NH4]+ 228.150663 164.7
[M+K]+ 249.079998 149.7
[M+H-H2O]+ 193.114100 138.7
[M+HCOO]- 255.115041 170.7
[M+CH3COO]- 269.130691 191.6
[M+Na-2H]- 231.091506 151.4
[M]+ 210.11629142 144.6
[M]- 210.11738858 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