CID 11278

Stebbins acid

Structural Information

Molecular Formula

C₁₀H₈O₄S

SMILES

C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)O

InChI

InChI=1S/C10H8O4S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6,11H,(H,12,13,14)

InChIKey

SGBQUMZTGSQNAO-UHFFFAOYSA-N

Compound name

2-hydroxynaphthalene-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3379
Patents: 224.01433 Da
Monoisotopic Mass: 2.1
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]+	225.02161	142.5
[M+Na]+	247.00355	152.5
[M-H]-	223.00705	145.3
[M+NH4]+	242.04815	161.2
[M+K]+	262.97749	148.4
[M+H-H2O]+	207.01159	137.8
[M+HCOO]-	269.01253	158.1
[M+CH3COO]-	283.02818	180.0
[M+Na-2H]-	244.98900	149.4
[M]+	224.01378	144.9
[M]-	224.01488	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe