CID 3049669

65116-59-8

Structural Information

Molecular Formula
C17H13F3N2O4S
SMILES
C1C(C(=O)N(C1=O)C2=CC(=C(C=C2)S(=O)(=O)N)C(F)(F)F)C3=CC=CC=C3
InChI
InChI=1S/C17H13F3N2O4S/c18-17(19,20)13-8-11(6-7-14(13)27(21,25)26)22-15(23)9-12(16(22)24)10-4-2-1-3-5-10/h1-8,12H,9H2,(H2,21,25,26)
InChIKey
GWSHGAJYTKGJMX-UHFFFAOYSA-N
Compound name
4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)-2-(trifluoromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.0548 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.06208 187.3
[M+Na]+ 421.04402 196.9
[M-H]- 397.04752 192.4
[M+NH4]+ 416.08862 198.8
[M+K]+ 437.01796 190.8
[M+H-H2O]+ 381.05206 177.5
[M+HCOO]- 443.05300 199.2
[M+CH3COO]- 457.06865 217.8
[M+Na-2H]- 419.02947 186.3
[M]+ 398.05425 184.7
[M]- 398.05535 184.7
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.