CID 25017608

5-(4-hydroxyphenyl)pentanesulfonyl fluoride

Structural Information

Molecular Formula

C₁₁H₁₅FO₃S

SMILES

C1=CC(=CC=C1CCCCCS(=O)(=O)F)O

InChI

InChI=1S/C11H15FO3S/c12-16(14,15)9-3-1-2-4-10-5-7-11(13)8-6-10/h5-8,13H,1-4,9H2

InChIKey

VCCAJGFVUCFGSD-UHFFFAOYSA-N

Compound name

5-(4-hydroxyphenyl)pentane-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 19
Patents: 246.07259 Da
Monoisotopic Mass: 3.0
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]+	247.07987	154.6
[M+Na]+	269.06181	164.6
[M+NH4]+	264.10641	161.0
[M+K]+	285.03575	157.1
[M-H]-	245.06531	153.3
[M+Na-2H]-	267.04726	158.5
[M]+	246.07204	155.9
[M]-	246.07314	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe