CID 9882374

Rwj 63556

Structural Information

Molecular Formula

C₁₁H₁₀FNO₃S₂

SMILES

CS(=O)(=O)NC1=CC=C(S1)OC2=CC=C(C=C2)F

InChI

InChI=1S/C11H10FNO3S2/c1-18(14,15)13-10-6-7-11(17-10)16-9-4-2-8(12)3-5-9/h2-7,13H,1H3

InChIKey

BEIZIEZPGSIQGR-UHFFFAOYSA-N

Compound name

N-[5-(4-fluorophenoxy)thiophen-2-yl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 95
Patents: 287.0086 Da
Monoisotopic Mass: 2.9
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]+	288.01588	159.6
[M+Na]+	309.99782	169.4
[M-H]-	286.00132	165.6
[M+NH4]+	305.04242	177.5
[M+K]+	325.97176	164.3
[M+H-H2O]+	270.00586	152.7
[M+HCOO]-	332.00680	174.4
[M+CH3COO]-	346.02245	196.0
[M+Na-2H]-	307.98327	161.4
[M]+	287.00805	163.0
[M]-	287.00915	163.0

Literature stripe

literature stripe

Patent stripe

patents stripe