CID 99331

1-(4-fluorophenyl)-3-(5-methylisoxazol-3-yl)urea

Structural Information

Molecular Formula
C11H10FN3O2
SMILES
CC1=CC(=NO1)NC(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C11H10FN3O2/c1-7-6-10(15-17-7)14-11(16)13-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKey
WAKQZUJXHQHOEF-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

0
Patents

235.0757 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.082976 149.2
[M+Na]+ 258.064918 157.3
[M-H]- 234.068424 154.7
[M+NH4]+ 253.109523 165.5
[M+K]+ 274.038858 155.4
[M+H-H2O]+ 218.072960 140.4
[M+HCOO]- 280.073901 173.8
[M+CH3COO]- 294.089551 193.2
[M+Na-2H]- 256.050366 154.7
[M]+ 235.07515142 148.8
[M]- 235.07624858 148.8
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

No patent data available for this compound.