CID 66802

97-29-0

Structural Information

Molecular Formula

C₁₂H₁₀O₄S

SMILES

C1=CC(=C(C=C1O)O)SC2=C(C=C(C=C2)O)O

InChI

InChI=1S/C12H10O4S/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,13-16H

InChIKey

WEMYXYMZQRSPIA-UHFFFAOYSA-N

Compound name

4-(2,4-dihydroxyphenyl)sulfanylbenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 890
Patents: 250.02998 Da
Monoisotopic Mass: 2.6
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]+	251.03726	152.0
[M+Na]+	273.01920	165.1
[M+NH4]+	268.06380	159.6
[M+K]+	288.99314	158.0
[M-H]-	249.02270	154.5
[M+Na-2H]-	271.00465	158.4
[M]+	250.02943	155.0
[M]-	250.03053	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe