CID 3086690

Brn 4762564

Structural Information

Molecular Formula
C13H14F3NO4S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C13H14F3NO4S/c1-2-21-12-7-6-11(18)17(12)22(19,20)10-5-3-4-9(8-10)13(14,15)16/h3-5,8,12H,2,6-7H2,1H3
InChIKey
IRFAAQZNCFVTRS-UHFFFAOYSA-N
Compound name
5-ethoxy-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.05957 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.06685 179.6
[M+Na]+ 360.04879 185.9
[M+NH4]+ 355.09339 182.8
[M+K]+ 376.02273 182.2
[M-H]- 336.05229 175.1
[M+Na-2H]- 358.03424 180.6
[M]+ 337.05902 179.2
[M]- 337.06012 179.2
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.