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]+ 352.082506 174.4
[M+Na]+ 374.064448 182.6
[M-H]- 350.067954 176.2
[M+NH4]+ 369.109053 188.4
[M+K]+ 390.038388 179.2
[M+H-H2O]+ 334.072490 165.8
[M+HCOO]- 396.073431 184.4
[M+CH3COO]- 410.089081 207.4
[M+Na-2H]- 372.049896 173.0
[M]+ 351.07468142 174.1
[M]- 351.07577858 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