CID 22335

2-(2-furyl)-1,3-dithiolane

Structural Information

Molecular Formula
C7H8OS2
SMILES
C1CSC(S1)C2=CC=CO2
InChI
InChI=1S/C7H8OS2/c1-2-6(8-3-1)7-9-4-5-10-7/h1-3,7H,4-5H2
InChIKey
FJZSFBULTAFVNL-UHFFFAOYSA-N
Compound name
2-(1,3-dithiolan-2-yl)furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

172.00166 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.00894 133.6
[M+Na]+ 194.99088 143.1
[M-H]- 170.99438 141.7
[M+NH4]+ 190.03548 157.2
[M+K]+ 210.96482 142.0
[M+H-H2O]+ 154.99892 129.9
[M+HCOO]- 216.99986 148.4
[M+CH3COO]- 231.01551 148.2
[M+Na-2H]- 192.97633 133.7
[M]+ 172.00111 135.0
[M]- 172.00221 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.