CID 10130708

Sodium menasylate

Structural Information

Molecular Formula

C₁₁H₁₀O₃S

SMILES

CC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C11H10O3S/c1-8-2-3-10-7-11(15(12,13)14)5-4-9(10)6-8/h2-7H,1H3,(H,12,13,14)

InChIKey

UGDHIURSEUVFCE-UHFFFAOYSA-N

Compound name

6-methylnaphthalene-2-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 234
Patents: 222.03506 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]+	223.04234	144.8
[M+Na]+	245.02428	158.3
[M+NH4]+	240.06888	153.6
[M+K]+	260.99822	150.5
[M-H]-	221.02778	146.6
[M+Na-2H]-	243.00973	151.3
[M]+	222.03451	147.8
[M]-	222.03561	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe