CID 91988031

Ns00021505

Structural Information

Molecular Formula

C₁₀H₁₀O₂S₂

SMILES

CC1=C(C=CO1)C(C2=CC=CO2)(S)S

InChI

InChI=1S/C10H10O2S2/c1-7-8(4-6-11-7)10(13,14)9-3-2-5-12-9/h2-6,13-14H,1H3

InChIKey

CZYMZVHUOMKOMB-UHFFFAOYSA-N

Compound name

furan-2-yl-(2-methylfuran-3-yl)methanedithiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.01222 Da
Monoisotopic Mass: 2.5
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]+	227.019496	147.1
[M+Na]+	249.001438	159.4
[M-H]-	225.004944	157.1
[M+NH4]+	244.046043	168.0
[M+K]+	264.975378	158.6
[M+H-H2O]+	209.009480	144.0
[M+HCOO]-	271.010421	163.3
[M+CH3COO]-	285.026071	184.4
[M+Na-2H]-	246.986886	149.4
[M]+	226.01167142	155.1
[M]-	226.01276858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.