CID 55013

83521-66-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 136.8
[M+Na]+ 223.00219 145.7
[M-H]- 199.00569 142.4
[M+NH4]+ 218.04679 158.8
[M+K]+ 238.97613 141.4
[M+H-H2O]+ 183.01023 130.8
[M+HCOO]- 245.01117 149.3
[M+CH3COO]- 259.02682 150.0
[M+Na-2H]- 220.98764 136.3
[M]+ 200.01242 135.2
[M]- 200.01352 135.2
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

No patent data available for this compound.