CID 210338

21220-98-4

Structural Information

Molecular Formula
C14H20FNO5S2
SMILES
C1COC(O1)(CCCNCCSS(=O)(=O)O)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H20FNO5S2/c15-13-4-2-12(3-5-13)14(20-9-10-21-14)6-1-7-16-8-11-22-23(17,18)19/h2-5,16H,1,6-11H2,(H,17,18,19)
InChIKey
IEBGMYMKWUYBAD-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-2-[3-(2-sulfosulfanylethylamino)propyl]-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.0767 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.08398 177.7
[M+Na]+ 388.06592 183.2
[M-H]- 364.06942 181.7
[M+NH4]+ 383.11052 190.6
[M+K]+ 404.03986 180.6
[M+H-H2O]+ 348.07396 171.7
[M+HCOO]- 410.07490 186.5
[M+CH3COO]- 424.09055 206.1
[M+Na-2H]- 386.05137 181.3
[M]+ 365.07615 181.3
[M]- 365.07725 181.3
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.