CID 3064793

Carbonic acid, dithio-, o-allyl ester, anhydrosulfide with thio-2-furoic acid

Structural Information

Molecular Formula
C9H8O3S2
SMILES
C=CCOC(=S)SC(=O)C1=CC=CO1
InChI
InChI=1S/C9H8O3S2/c1-2-5-12-9(13)14-8(10)7-4-3-6-11-7/h2-4,6H,1,5H2
InChIKey
CCEPXTMICKRJHH-UHFFFAOYSA-N
Compound name
O-prop-2-enyl furan-2-carbonylsulfanylmethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.99149 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.99877 149.7
[M+Na]+ 250.98071 157.9
[M-H]- 226.98421 154.2
[M+NH4]+ 246.02531 169.0
[M+K]+ 266.95465 155.5
[M+H-H2O]+ 210.98875 144.6
[M+HCOO]- 272.98969 162.5
[M+CH3COO]- 287.00534 183.2
[M+Na-2H]- 248.96616 148.7
[M]+ 227.99094 154.6
[M]- 227.99204 154.6
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.