CID 310363

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

Structural Information

Molecular Formula
C13H11FN2O2
SMILES
C1=CC(=CC(=C1)O)NC(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C13H11FN2O2/c14-9-4-6-10(7-5-9)15-13(18)16-11-2-1-3-12(17)8-11/h1-8,17H,(H2,15,16,18)
InChIKey
BASVXNNPMBRKEP-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

246.08046 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.087736 151.8
[M+Na]+ 269.069678 158.6
[M-H]- 245.073184 156.3
[M+NH4]+ 264.114283 167.7
[M+K]+ 285.043618 154.6
[M+H-H2O]+ 229.077720 143.4
[M+HCOO]- 291.078661 175.6
[M+CH3COO]- 305.094311 194.3
[M+Na-2H]- 267.055126 157.4
[M]+ 246.07991142 148.3
[M]- 246.08100858 148.3
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

patents stripe