CID 3309783

5925-54-2

Structural Information

Molecular Formula

C₁₂H₁₀S₂

SMILES

CSC(=S)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C12H10S2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3

InChIKey

AGFZUWXGHUIPNE-UHFFFAOYSA-N

Compound name

methyl naphthalene-1-carbodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 218.0224 Da
Monoisotopic Mass: 4.6
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]+	219.02968	141.8
[M+Na]+	241.01162	155.9
[M+NH4]+	236.05622	153.1
[M+K]+	256.98556	143.9
[M-H]-	217.01512	146.4
[M+Na-2H]-	238.99707	149.2
[M]+	218.02185	146.4
[M]-	218.02295	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe