CID 207603

30279-24-4

Structural Information

Molecular Formula
C13H15FN2O4S
SMILES
CCC1(CC(=O)N(C1=O)C2=CC(=C(C=C2)S(=O)(=O)N)F)C
InChI
InChI=1S/C13H15FN2O4S/c1-3-13(2)7-11(17)16(12(13)18)8-4-5-10(9(14)6-8)21(15,19)20/h4-6H,3,7H2,1-2H3,(H2,15,19,20)
InChIKey
KLABIPBNENBYJO-UHFFFAOYSA-N
Compound name
4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.07367 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08095 165.5
[M+Na]+ 337.06289 175.9
[M-H]- 313.06639 170.2
[M+NH4]+ 332.10749 183.0
[M+K]+ 353.03683 171.7
[M+H-H2O]+ 297.07093 159.5
[M+HCOO]- 359.07187 180.9
[M+CH3COO]- 373.08752 204.1
[M+Na-2H]- 335.04834 165.7
[M]+ 314.07312 167.1
[M]- 314.07422 167.1
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

No patent data available for this compound.