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

2
Annotation Hits: 0
References: 100
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]+	235.042336	148.8
[M+Na]+	257.024278	159.0
[M-H]-	233.027784	153.0
[M+NH4]+	252.068883	171.1
[M+K]+	272.998218	154.9
[M+H-H2O]+	217.032320	144.8
[M+HCOO]-	279.033261	164.5
[M+CH3COO]-	293.048911	185.4
[M+Na-2H]-	255.009726	155.2
[M]+	234.03451142	152.8
[M]-	234.03560858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe