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

1
Patents

246.08046 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08774 151.8
[M+Na]+ 269.06968 158.6
[M-H]- 245.07318 156.3
[M+NH4]+ 264.11428 167.7
[M+K]+ 285.04362 154.6
[M+H-H2O]+ 229.07772 143.4
[M+HCOO]- 291.07866 175.6
[M+CH3COO]- 305.09431 194.3
[M+Na-2H]- 267.05513 157.4
[M]+ 246.07991 148.3
[M]- 246.08101 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