CID 62144

59020-90-5

Structural Information

Molecular Formula
C6H6O2S
SMILES
C1=COC(=C1)CSC=O
InChI
InChI=1S/C6H6O2S/c7-5-9-4-6-2-1-3-8-6/h1-3,5H,4H2
InChIKey
GFAOAYJTEVHTLA-UHFFFAOYSA-N
Compound name
S-(furan-2-ylmethyl) methanethioate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

113
Patents

142.00885 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.01613 125.1
[M+Na]+ 164.99807 134.6
[M-H]- 141.00157 130.1
[M+NH4]+ 160.04267 147.9
[M+K]+ 180.97201 134.3
[M+H-H2O]+ 125.00611 120.5
[M+HCOO]- 187.00705 146.1
[M+CH3COO]- 201.02270 169.4
[M+Na-2H]- 162.98352 130.0
[M]+ 142.00830 129.7
[M]- 142.00940 129.7
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