CID 59035

Furan, 2,5-dimethyl-3-(thiofuroyl)-

Structural Information

Molecular Formula

C₁₁H₁₀O₂S

SMILES

CC1=CC(=C(O1)C)C(=S)C2=CC=CO2

InChI

InChI=1S/C11H10O2S/c1-7-6-9(8(2)13-7)11(14)10-4-3-5-12-10/h3-6H,1-2H3

InChIKey

XXLAHGKYYUTSPI-UHFFFAOYSA-N

Compound name

(2,5-dimethylfuran-3-yl)-(furan-2-yl)methanethione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 206.04015 Da
Monoisotopic Mass: 3.1
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]+	207.047426	143.2
[M+Na]+	229.029368	154.9
[M-H]-	205.032874	153.2
[M+NH4]+	224.073973	164.5
[M+K]+	245.003308	154.3
[M+H-H2O]+	189.037410	139.3
[M+HCOO]-	251.038351	164.6
[M+CH3COO]-	265.054001	183.3
[M+Na-2H]-	227.014816	144.7
[M]+	206.03960142	150.3
[M]-	206.04069858	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe