CID 3086725

Brn 4763587

Structural Information

Molecular Formula
C14H16F3NO4S
SMILES
CC(C)OC1CCC(=O)N1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C14H16F3NO4S/c1-9(2)22-13-7-6-12(19)18(13)23(20,21)11-5-3-4-10(8-11)14(15,16)17/h3-5,8-9,13H,6-7H2,1-2H3
InChIKey
FCECKPSEBQWTHG-UHFFFAOYSA-N
Compound name
5-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

351.07523 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.08251 174.4
[M+Na]+ 374.06445 182.6
[M-H]- 350.06795 176.2
[M+NH4]+ 369.10905 188.4
[M+K]+ 390.03839 179.2
[M+H-H2O]+ 334.07249 165.8
[M+HCOO]- 396.07343 184.4
[M+CH3COO]- 410.08908 207.4
[M+Na-2H]- 372.04990 173.0
[M]+ 351.07468 174.1
[M]- 351.07578 174.1
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