CID 55011

83521-64-6

Structural Information

Molecular Formula
C9H9FS2
SMILES
C1CSC(S1)C2=CC=C(C=C2)F
InChI
InChI=1S/C9H9FS2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4,9H,5-6H2
InChIKey
RXVLCDZBERVFMS-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

200.01297 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.02025 137.9
[M+Na]+ 223.00219 149.1
[M+NH4]+ 218.04679 148.5
[M+K]+ 238.97613 139.7
[M-H]- 199.00569 141.7
[M+Na-2H]- 220.98764 144.2
[M]+ 200.01242 141.5
[M]- 200.01352 141.5
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