CID 22336604

1555328-23-8

Structural Information

Molecular Formula

C₁₁H₈O₂S

SMILES

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

InChI

InChI=1S/C11H8O2S/c12-11(13)9-6-5-7-3-1-2-4-8(7)10(9)14/h1-6,14H,(H,12,13)

InChIKey

OZAAEETZNZUQRX-UHFFFAOYSA-N

Compound name

1-sulfanylnaphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 268
Patents: 204.0245 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]+	205.03178	139.8
[M+Na]+	227.01372	153.8
[M+NH4]+	222.05832	149.5
[M+K]+	242.98766	145.1
[M-H]-	203.01722	142.7
[M+Na-2H]-	224.99917	146.6
[M]+	204.02395	143.2
[M]-	204.02505	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe