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: 42
Patents: 251.02522 Da
Monoisotopic Mass: 1.1
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]+	252.03250	151.4
[M+Na]+	274.01444	160.6
[M-H]-	250.01794	156.2
[M+NH4]+	269.05904	166.7
[M+K]+	289.98838	156.8
[M+H-H2O]+	234.02248	144.3
[M+HCOO]-	296.02342	168.6
[M+CH3COO]-	310.03907	185.1
[M+Na-2H]-	271.99989	157.8
[M]+	251.02467	154.4
[M]-	251.02577	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe