CID 642117

28588-73-0

Structural Information

Molecular Formula

C₁₂H₁₄O₂S₂

SMILES

CC1=CC(=C(O1)C)SSC2=C(OC(=C2)C)C

InChI

InChI=1S/C12H14O2S2/c1-7-5-11(9(3)13-7)15-16-12-6-8(2)14-10(12)4/h5-6H,1-4H3

InChIKey

JDWCALSZHJBMIQ-UHFFFAOYSA-N

Compound name

3-[(2,5-dimethylfuran-3-yl)disulfanyl]-2,5-dimethylfuran

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 85
Patents: 254.04352 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]+	255.05080	153.4
[M+Na]+	277.03274	166.8
[M-H]-	253.03624	163.8
[M+NH4]+	272.07734	173.9
[M+K]+	293.00668	164.9
[M+H-H2O]+	237.04078	150.1
[M+HCOO]-	299.04172	170.1
[M+CH3COO]-	313.05737	193.2
[M+Na-2H]-	275.01819	152.2
[M]+	254.04297	163.7
[M]-	254.04407	163.7

Literature stripe

literature stripe

Patent stripe

patents stripe