CID 40429244

176981-11-6

Structural Information

Molecular Formula
C8H7NOS2
SMILES
C1=COC(=C1)CSC2=NC=CS2
InChI
InChI=1S/C8H7NOS2/c1-2-7(10-4-1)6-12-8-9-3-5-11-8/h1-5H,6H2
InChIKey
DZZDZLUKNFXMCC-UHFFFAOYSA-N
Compound name
2-(furan-2-ylmethylsulfanyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.9969 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.00418 136.8
[M+Na]+ 219.98612 149.2
[M-H]- 195.98962 144.5
[M+NH4]+ 215.03072 158.6
[M+K]+ 235.96006 147.0
[M+H-H2O]+ 179.99416 132.1
[M+HCOO]- 241.99510 154.4
[M+CH3COO]- 256.01075 152.0
[M+Na-2H]- 217.97157 138.5
[M]+ 196.99635 143.0
[M]- 196.99745 143.0
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.