CID 104565

53700-79-1

Structural Information

Molecular Formula

C₁₂H₁₀O₃S

SMILES

C1CC2=CC=C(C3=CC=CC1=C23)S(=O)(=O)O

InChI

InChI=1S/C12H10O3S/c13-16(14,15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2,(H,13,14,15)

InChIKey

XXACHQRFXDSJNO-UHFFFAOYSA-N

Compound name

1,2-dihydroacenaphthylene-5-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 234.03506 Da
Monoisotopic Mass: 2.8
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]+	235.04234	147.1
[M+Na]+	257.02428	159.4
[M+NH4]+	252.06888	156.6
[M+K]+	272.99822	153.2
[M-H]-	233.02778	148.3
[M+Na-2H]-	255.00973	151.5
[M]+	234.03451	149.7
[M]-	234.03561	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe