CID 480032

S-ethyl furan-2-carbothioate

Structural Information

Molecular Formula
C7H8O2S
SMILES
CCSC(=O)C1=CC=CO1
InChI
InChI=1S/C7H8O2S/c1-2-10-7(8)6-4-3-5-9-6/h3-5H,2H2,1H3
InChIKey
SESCOAVHVLBSIA-UHFFFAOYSA-N
Compound name
S-ethyl furan-2-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

156.0245 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.031776 130.8
[M+Na]+ 179.013718 139.6
[M-H]- 155.017224 135.7
[M+NH4]+ 174.058323 153.0
[M+K]+ 194.987658 139.4
[M+H-H2O]+ 139.021760 126.0
[M+HCOO]- 201.022701 150.4
[M+CH3COO]- 215.038351 172.5
[M+Na-2H]- 176.999166 134.0
[M]+ 156.02395142 135.0
[M]- 156.02504858 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

No literature data available for this compound.

Patent stripe

patents stripe