CID 58170399

6-(methylsulfonyl)quinolin-4-ol

Structural Information

Molecular Formula

C₁₀H₉NO₃S

SMILES

CS(=O)(=O)C1=CC2=C(C=C1)NC=CC2=O

InChI

InChI=1S/C10H9NO3S/c1-15(13,14)7-2-3-9-8(6-7)10(12)4-5-11-9/h2-6H,1H3,(H,11,12)

InChIKey

JSPOBZWJRUHRND-UHFFFAOYSA-N

Compound name

6-methylsulfonyl-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 223.03032 Da
Monoisotopic Mass: -0.2
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]+	224.037596	143.5
[M+Na]+	246.019538	154.4
[M-H]-	222.023044	146.3
[M+NH4]+	241.064143	161.7
[M+K]+	261.993478	149.8
[M+H-H2O]+	206.027580	137.9
[M+HCOO]-	268.028521	159.3
[M+CH3COO]-	282.044171	182.1
[M+Na-2H]-	244.004986	150.4
[M]+	223.02977142	146.0
[M]-	223.03086858	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe