CID 13316557

Fladrafinil

Structural Information

Molecular Formula
C15H13F2NO3S
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)F)S(=O)CC(=O)NO)F
InChI
InChI=1S/C15H13F2NO3S/c16-12-5-1-10(2-6-12)15(22(21)9-14(19)18-20)11-3-7-13(17)8-4-11/h1-8,15,20H,9H2,(H,18,19)
InChIKey
VKGUUSVYPXTWMA-UHFFFAOYSA-N
Compound name
2-[bis(4-fluorophenyl)methylsulfinyl]-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

325.0584 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.06568 168.8
[M+Na]+ 348.04762 174.9
[M-H]- 324.05112 171.4
[M+NH4]+ 343.09222 181.8
[M+K]+ 364.02156 170.0
[M+H-H2O]+ 308.05566 159.4
[M+HCOO]- 370.05660 182.9
[M+CH3COO]- 384.07225 205.4
[M+Na-2H]- 346.03307 167.8
[M]+ 325.05785 167.5
[M]- 325.05895 167.5
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

patents stripe