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]+ 157.03178 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.