CID 474273

S-(thiiran-2-ylmethyl) furan-2-carbothioate

Structural Information

Molecular Formula
C8H8O2S2
SMILES
C1C(S1)CSC(=O)C2=CC=CO2
InChI
InChI=1S/C8H8O2S2/c9-8(7-2-1-3-10-7)12-5-6-4-11-6/h1-3,6H,4-5H2
InChIKey
VQDGRHNPCDBPAL-UHFFFAOYSA-N
Compound name
S-(thiiran-2-ylmethyl) furan-2-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.99657 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00385 132.4
[M+Na]+ 222.98579 142.4
[M-H]- 198.98929 140.7
[M+NH4]+ 218.03039 148.1
[M+K]+ 238.95973 140.3
[M+H-H2O]+ 182.99383 126.7
[M+HCOO]- 244.99477 146.7
[M+CH3COO]- 259.01042 182.4
[M+Na-2H]- 220.97124 134.1
[M]+ 199.99602 138.7
[M]- 199.99712 138.7
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.