CID 13741111

2-(4-chlorobenzenesulfonyl)ethan-1-ol

Structural Information

Molecular Formula

C₈H₉ClO₃S

SMILES

C1=CC(=CC=C1S(=O)(=O)CCO)Cl

InChI

InChI=1S/C8H9ClO3S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4,10H,5-6H2

InChIKey

PERNWOCEJUZDKC-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)sulfonylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 219.9961 Da
Monoisotopic Mass: 1.2
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]+	221.003376	140.9
[M+Na]+	242.985318	150.6
[M-H]-	218.988824	144.0
[M+NH4]+	238.029923	160.2
[M+K]+	258.959258	145.9
[M+H-H2O]+	202.993360	136.9
[M+HCOO]-	264.994301	154.0
[M+CH3COO]-	279.009951	179.3
[M+Na-2H]-	240.970766	145.5
[M]+	219.99555142	145.4
[M]-	219.99664858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe