CID 4677772

2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)ethanesulfonyl fluoride

Structural Information

Molecular Formula
C12H13FN2O4S
SMILES
CC1C(=O)N(C(=O)N1C2=CC=CC=C2)CCS(=O)(=O)F
InChI
InChI=1S/C12H13FN2O4S/c1-9-11(16)14(7-8-20(13,18)19)12(17)15(9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKey
ZSBTZTIIYIWKMZ-UHFFFAOYSA-N
Compound name
2-(4-methyl-2,5-dioxo-3-phenylimidazolidin-1-yl)ethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.058 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06528 164.1
[M+Na]+ 323.04722 174.3
[M-H]- 299.05072 167.8
[M+NH4]+ 318.09182 179.2
[M+K]+ 339.02116 170.3
[M+H-H2O]+ 283.05526 156.5
[M+HCOO]- 345.05620 178.3
[M+CH3COO]- 359.07185 198.5
[M+Na-2H]- 321.03267 163.5
[M]+ 300.05745 166.7
[M]- 300.05855 166.7
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.