CID 11557985

151262-57-6

Structural Information

Molecular Formula

C₁₀H₁₁FO₅S

SMILES

CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)O)O

InChI

InChI=1S/C10H11FO5S/c1-10(14,9(12)13)6-17(15,16)8-4-2-7(11)3-5-8/h2-5,14H,6H2,1H3,(H,12,13)

InChIKey

DSXJLPDNNPNIRF-UHFFFAOYSA-N

Compound name

3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 262.03113 Da
Monoisotopic Mass: 0.4
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]+	263.03841	156.3
[M+Na]+	285.02035	164.2
[M+NH4]+	280.06495	160.7
[M+K]+	300.99429	160.4
[M-H]-	261.02385	152.4
[M+Na-2H]-	283.00580	158.5
[M]+	262.03058	156.4
[M]-	262.03168	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe