CID 310360

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

Structural Information

Molecular Formula
C13H12FN3O3S
SMILES
C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)F
InChI
InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
InChIKey
YJQZNWPYLCNRLP-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

39
References

58
Patents

309.05835 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.06563 164.9
[M+Na]+ 332.04757 171.9
[M-H]- 308.05107 170.1
[M+NH4]+ 327.09217 178.6
[M+K]+ 348.02151 167.0
[M+H-H2O]+ 292.05561 156.1
[M+HCOO]- 354.05655 184.2
[M+CH3COO]- 368.07220 206.3
[M+Na-2H]- 330.03302 169.1
[M]+ 309.05780 163.2
[M]- 309.05890 163.2
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