CID 716578

331454-79-6

Structural Information

Molecular Formula
C14H13FN2O4S
SMILES
C1=CC(=CC=C1NC(=O)COC2=CC=C(C=C2)F)S(=O)(=O)N
InChI
InChI=1S/C14H13FN2O4S/c15-10-1-5-12(6-2-10)21-9-14(18)17-11-3-7-13(8-4-11)22(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
InChIKey
NPJBCVLGGZTQJU-UHFFFAOYSA-N
Compound name
2-(4-fluorophenoxy)-N-(4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

324.058 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.06528 169.2
[M+Na]+ 347.04722 176.3
[M-H]- 323.05072 174.2
[M+NH4]+ 342.09182 182.5
[M+K]+ 363.02116 171.9
[M+H-H2O]+ 307.05526 160.3
[M+HCOO]- 369.05620 187.4
[M+CH3COO]- 383.07185 206.8
[M+Na-2H]- 345.03267 172.5
[M]+ 324.05745 170.0
[M]- 324.05855 170.0
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

No patent data available for this compound.