CID 67237

Croceic acid

Structural Information

Molecular Formula

C₁₀H₈O₄S

SMILES

C1=CC2=C(C=C(C=C2)O)C(=C1)S(=O)(=O)O

InChI

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

InChIKey

HUYJTJXLNBOVFO-UHFFFAOYSA-N

Compound name

7-hydroxynaphthalene-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 645
Patents: 224.01433 Da
Monoisotopic Mass: 1.0
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	143.7
[M+Na]+	247.00355	156.4
[M+NH4]+	242.04815	151.7
[M+K]+	262.97749	149.6
[M-H]-	223.00705	144.4
[M+Na-2H]-	244.98900	149.4
[M]+	224.01378	146.2
[M]-	224.01488	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe