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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.03760 143.5
[M+Na]+ 246.01954 154.4
[M-H]- 222.02304 146.3
[M+NH4]+ 241.06414 161.7
[M+K]+ 261.99348 149.8
[M+H-H2O]+ 206.02758 137.9
[M+HCOO]- 268.02852 159.3
[M+CH3COO]- 282.04417 182.1
[M+Na-2H]- 244.00499 150.4
[M]+ 223.02977 146.0
[M]- 223.03087 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe