CID 3016289

Methylnaphthalenesulphonic acid

Structural Information

Molecular Formula

C₁₁H₁₀O₃S

SMILES

CC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)O

InChI

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

InChIKey

WODGMMJHSAKKNF-UHFFFAOYSA-N

Compound name

2-methylnaphthalene-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 5300
Patents: 222.03506 Da
Monoisotopic Mass: 2.3
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]+	223.042336	143.5
[M+Na]+	245.024278	153.7
[M-H]-	221.027784	147.6
[M+NH4]+	240.068883	163.1
[M+K]+	260.998218	149.7
[M+H-H2O]+	205.032320	138.5
[M+HCOO]-	267.033261	160.1
[M+CH3COO]-	281.048911	183.2
[M+Na-2H]-	243.009726	150.1
[M]+	222.03451142	146.6
[M]-	222.03560858	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe