CID 3049665

65116-29-2

Structural Information

Molecular Formula
C14H15F3N2O4S
SMILES
CCC1(CC(=O)N(C1=O)C2=CC(=C(C=C2)S(=O)(=O)N)C(F)(F)F)C
InChI
InChI=1S/C14H15F3N2O4S/c1-3-13(2)7-11(20)19(12(13)21)8-4-5-10(24(18,22)23)9(6-8)14(15,16)17/h4-6H,3,7H2,1-2H3,(H2,18,22,23)
InChIKey
LOCVLRHBTPTINS-UHFFFAOYSA-N
Compound name
4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2-(trifluoromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.07047 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.07775 175.3
[M+Na]+ 387.05969 185.4
[M-H]- 363.06319 177.1
[M+NH4]+ 382.10429 190.6
[M+K]+ 403.03363 180.9
[M+H-H2O]+ 347.06773 167.8
[M+HCOO]- 409.06867 186.6
[M+CH3COO]- 423.08432 212.3
[M+Na-2H]- 385.04514 175.4
[M]+ 364.06992 174.3
[M]- 364.07102 174.3
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.