CID 61660

Furfuryl thioacetate

Structural Information

Molecular Formula
C7H8O2S
SMILES
CC(=O)SCC1=CC=CO1
InChI
InChI=1S/C7H8O2S/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3
InChIKey
LQOUTUIIYXYBQW-UHFFFAOYSA-N
Compound name
S-(furan-2-ylmethyl) ethanethioate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

282
Patents

156.0245 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.03178 130.8
[M+Na]+ 179.01372 139.6
[M-H]- 155.01722 135.7
[M+NH4]+ 174.05832 153.0
[M+K]+ 194.98766 139.4
[M+H-H2O]+ 139.02176 126.0
[M+HCOO]- 201.02270 150.4
[M+CH3COO]- 215.03835 172.5
[M+Na-2H]- 176.99917 134.0
[M]+ 156.02395 135.0
[M]- 156.02505 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe