CID 306324

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

Structural Information

Molecular Formula
C13H10FIN2O
SMILES
C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)I)F
InChI
InChI=1S/C13H10FIN2O/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)
InChIKey
GTYCIKVVNBKUJX-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-(4-iodophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.98218 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.98946 166.6
[M+Na]+ 378.97140 166.4
[M-H]- 354.97490 164.8
[M+NH4]+ 374.01600 178.1
[M+K]+ 394.94534 168.2
[M+H-H2O]+ 338.97944 154.2
[M+HCOO]- 400.98038 185.9
[M+CH3COO]- 414.99603 205.0
[M+Na-2H]- 376.95685 159.7
[M]+ 355.98163 160.9
[M]- 355.98273 160.9
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

No patent data available for this compound.