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

10
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

literature stripe

Patent stripe

patents stripe