CID 461360

Quinolin-8-yl benzenesulfonate

Structural Information

Molecular Formula
C15H11NO3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2N=CC=C3
InChI
InChI=1S/C15H11NO3S/c17-20(18,13-8-2-1-3-9-13)19-14-10-4-6-12-7-5-11-16-15(12)14/h1-11H
InChIKey
AHNVDMNIJVXKML-UHFFFAOYSA-N
Compound name
quinolin-8-yl benzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

290
Patents

285.04596 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.05324 161.6
[M+Na]+ 308.03518 171.1
[M-H]- 284.03868 168.2
[M+NH4]+ 303.07978 177.1
[M+K]+ 324.00912 166.3
[M+H-H2O]+ 268.04322 153.7
[M+HCOO]- 330.04416 178.6
[M+CH3COO]- 344.05981 173.8
[M+Na-2H]- 306.02063 169.7
[M]+ 285.04541 165.2
[M]- 285.04651 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe