CID 71246

Flosulide

Structural Information

Molecular Formula

C₁₆H₁₃F₂NO₄S

SMILES

CS(=O)(=O)NC1=C(C=C2C(=C1)CCC2=O)OC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C16H13F2NO4S/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3

InChIKey

CXJONBHNIJFARE-UHFFFAOYSA-N

Compound name

N-[6-(2,4-difluorophenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 33
References: 4099
Patents: 353.05334 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	354.060616	175.4
[M+Na]+	376.042558	185.8
[M-H]-	352.046064	181.4
[M+NH4]+	371.087163	191.7
[M+K]+	392.016498	180.7
[M+H-H2O]+	336.050600	167.5
[M+HCOO]-	398.051541	191.7
[M+CH3COO]-	412.067191	212.3
[M+Na-2H]-	374.028006	176.9
[M]+	353.05279142	178.2
[M]-	353.05388858	178.2

Literature stripe

literature stripe

Patent stripe

patents stripe