CID 2492679

91103-94-5

Structural Information

Molecular Formula

C₉H₁₀FNO₄S

SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)O

InChI

InChI=1S/C9H10FNO4S/c1-11(2)16(14,15)6-3-4-8(10)7(5-6)9(12)13/h3-5H,1-2H3,(H,12,13)

InChIKey

SPLPERBFJNXJRZ-UHFFFAOYSA-N

Compound name

5-(dimethylsulfamoyl)-2-fluorobenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 247.03146 Da
Monoisotopic Mass: 0.7
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]+	248.03874	147.0
[M+Na]+	270.02068	155.4
[M-H]-	246.02418	150.1
[M+NH4]+	265.06528	164.4
[M+K]+	285.99462	153.6
[M+H-H2O]+	230.02872	140.3
[M+HCOO]-	292.02966	163.9
[M+CH3COO]-	306.04531	192.8
[M+Na-2H]-	268.00613	149.3
[M]+	247.03091	149.8
[M]-	247.03201	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe