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	141.1
[M+Na]+	241.01162	150.2
[M-H]-	217.01512	145.7
[M+NH4]+	236.05622	161.7
[M+K]+	256.98556	144.6
[M+H-H2O]+	201.01966	135.8
[M+HCOO]-	263.02060	153.0
[M+CH3COO]-	277.03625	153.9
[M+Na-2H]-	238.99707	144.3
[M]+	218.02185	143.2
[M]-	218.02295	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe