CID 51108

Ss-1

Structural Information

Molecular Formula

C₁₁H₈S₂

SMILES

C1=CC=C2C=C(C=CC2=C1)C(=S)S

InChI

InChI=1S/C11H8S2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)

InChIKey

AWLFSCHAGVTSIM-UHFFFAOYSA-N

Compound name

naphthalene-2-carbodithioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 204.00674 Da
Monoisotopic Mass: 4.4
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]+	205.01402	137.4
[M+Na]+	226.99596	151.7
[M+NH4]+	222.04056	148.8
[M+K]+	242.96990	139.9
[M-H]-	202.99946	142.0
[M+Na-2H]-	224.98141	145.0
[M]+	204.00619	142.0
[M]-	204.00729	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.