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: 16
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]+	224.03760	145.0
[M+Na]+	246.01954	158.5
[M+NH4]+	241.06414	152.7
[M+K]+	261.99348	150.9
[M-H]-	222.02304	145.6
[M+Na-2H]-	244.00499	151.0
[M]+	223.02977	147.6
[M]-	223.03087	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe