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

0
Patents

206.04015 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04743 143.1
[M+Na]+ 229.02937 156.2
[M+NH4]+ 224.07397 152.2
[M+K]+ 245.00331 152.2
[M-H]- 205.03287 149.1
[M+Na-2H]- 227.01482 148.8
[M]+ 206.03960 147.2
[M]- 206.04070 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.