CID 68259

1-naphthalenethiol

Structural Information

Molecular Formula

C₁₀H₈S

SMILES

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

InChI

InChI=1S/C10H8S/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H

InChIKey

SEXOVMIIVBKGGM-UHFFFAOYSA-N

Compound name

naphthalene-1-thiol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 18164
Patents: 160.03467 Da
Monoisotopic Mass: 3.8
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]+	161.04195	127.4
[M+Na]+	183.02389	137.3
[M-H]-	159.02739	132.7
[M+NH4]+	178.06849	150.3
[M+K]+	198.99783	133.7
[M+H-H2O]+	143.03193	122.3
[M+HCOO]-	205.03287	146.6
[M+CH3COO]-	219.04852	142.2
[M+Na-2H]-	181.00934	134.7
[M]+	160.03412	129.3
[M]-	160.03522	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe