CID 292805

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

Structural Information

Molecular Formula
C14H13FN2O2
SMILES
COC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C14H13FN2O2/c1-19-13-8-6-12(7-9-13)17-14(18)16-11-4-2-10(15)3-5-11/h2-9H,1H3,(H2,16,17,18)
InChIKey
TYFLHNPOKOIZSJ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

260.0961 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.103376 156.3
[M+Na]+ 283.085318 163.1
[M-H]- 259.088824 162.0
[M+NH4]+ 278.129923 172.4
[M+K]+ 299.059258 159.8
[M+H-H2O]+ 243.093360 147.4
[M+HCOO]- 305.094301 181.4
[M+CH3COO]- 319.109951 199.7
[M+Na-2H]- 281.070766 161.9
[M]+ 260.09555142 155.0
[M]- 260.09664858 155.0
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