CID 853873

1-(3-fluorophenyl)-3-(3-pyridyl)urea

Structural Information

Molecular Formula
C12H10FN3O
SMILES
C1=CC(=CC(=C1)F)NC(=O)NC2=CN=CC=C2
InChI
InChI=1S/C12H10FN3O/c13-9-3-1-4-10(7-9)15-12(17)16-11-5-2-6-14-8-11/h1-8H,(H2,15,16,17)
InChIKey
WFOGJKJRUKGBDO-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)-3-pyridin-3-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

231.0808 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.08808 148.1
[M+Na]+ 254.07002 155.0
[M-H]- 230.07352 152.3
[M+NH4]+ 249.11462 163.7
[M+K]+ 270.04396 151.1
[M+H-H2O]+ 214.07806 138.7
[M+HCOO]- 276.07900 172.3
[M+CH3COO]- 290.09465 193.0
[M+Na-2H]- 252.05547 155.7
[M]+ 231.08025 144.8
[M]- 231.08135 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe