CID 23145281

4-(cyclopropylsulfonyl)phenol

Structural Information

Molecular Formula

C₉H₁₀O₃S

SMILES

C1CC1S(=O)(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C9H10O3S/c10-7-1-3-8(4-2-7)13(11,12)9-5-6-9/h1-4,9-10H,5-6H2

InChIKey

GUHLGXQIMBKAIC-UHFFFAOYSA-N

Compound name

4-cyclopropylsulfonylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 198.03506 Da
Monoisotopic Mass: 1.4
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]+	199.042336	135.6
[M+Na]+	221.024278	145.8
[M-H]-	197.027784	142.4
[M+NH4]+	216.068883	150.0
[M+K]+	236.998218	142.0
[M+H-H2O]+	181.032320	129.8
[M+HCOO]-	243.033261	153.5
[M+CH3COO]-	257.048911	180.5
[M+Na-2H]-	219.009726	140.8
[M]+	198.03451142	139.6
[M]-	198.03560858	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe