CID 2054598

4-(4-allyloxy-benzenesulfonyl)-phenol

Structural Information

Molecular Formula

C₁₅H₁₄O₄S

SMILES

C=CCOC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C15H14O4S/c1-2-11-19-13-5-9-15(10-6-13)20(17,18)14-7-3-12(16)4-8-14/h2-10,16H,1,11H2

InChIKey

FKZIDBGIZLBDDF-UHFFFAOYSA-N

Compound name

4-(4-prop-2-enoxyphenyl)sulfonylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 610
Patents: 290.06128 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]+	291.068556	163.6
[M+Na]+	313.050498	172.1
[M-H]-	289.054004	169.4
[M+NH4]+	308.095103	178.8
[M+K]+	329.024438	167.0
[M+H-H2O]+	273.058540	156.7
[M+HCOO]-	335.059481	180.9
[M+CH3COO]-	349.075131	194.8
[M+Na-2H]-	311.035946	167.3
[M]+	290.06073142	167.2
[M]-	290.06182858	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe