CID 10888769

Sodium naphthalene-1-sulfinate

Structural Information

Molecular Formula

C₁₀H₈O₂S

SMILES

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

InChI

InChI=1S/C10H8O2S/c11-13(12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12)

InChIKey

ICYDASAGOZFWIC-UHFFFAOYSA-N

Compound name

naphthalene-1-sulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 829
Patents: 192.0245 Da
Monoisotopic Mass: 2.4
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]+	193.03178	135.6
[M+Na]+	215.01372	149.4
[M+NH4]+	210.05832	145.5
[M+K]+	230.98766	140.8
[M-H]-	191.01722	138.5
[M+Na-2H]-	212.99917	142.9
[M]+	192.02395	139.0
[M]-	192.02505	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe