CID 2760497

192329-80-9

Structural Information

Molecular Formula
C11H9NO4S
SMILES
C1=CC(=CC=C1OC2=CC=NC=C2)S(=O)(=O)O
InChI
InChI=1S/C11H9NO4S/c13-17(14,15)11-3-1-9(2-4-11)16-10-5-7-12-8-6-10/h1-8H,(H,13,14,15)
InChIKey
DXVIGUWDUVUVMI-UHFFFAOYSA-N
Compound name
4-pyridin-4-yloxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

251.02522 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.032496 151.4
[M+Na]+ 274.014438 160.6
[M-H]- 250.017944 156.2
[M+NH4]+ 269.059043 166.7
[M+K]+ 289.988378 156.8
[M+H-H2O]+ 234.022480 144.3
[M+HCOO]- 296.023421 168.6
[M+CH3COO]- 310.039071 185.1
[M+Na-2H]- 271.999886 157.8
[M]+ 251.02467142 154.4
[M]- 251.02576858 154.4
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