CID 3086692

111711-59-2

Structural Information

Molecular Formula
C12H14FNO4S
SMILES
CCOC1CCC(=O)N1S(=O)(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H14FNO4S/c1-2-18-12-8-7-11(15)14(12)19(16,17)10-5-3-9(13)4-6-10/h3-6,12H,2,7-8H2,1H3
InChIKey
FBWSNTMYRBTLHF-UHFFFAOYSA-N
Compound name
5-ethoxy-1-(4-fluorophenyl)sulfonylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.06274 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.07002 161.0
[M+Na]+ 310.05196 170.1
[M-H]- 286.05546 165.6
[M+NH4]+ 305.09656 177.8
[M+K]+ 326.02590 166.8
[M+H-H2O]+ 270.06000 153.8
[M+HCOO]- 332.06094 176.4
[M+CH3COO]- 346.07659 195.3
[M+Na-2H]- 308.03741 161.2
[M]+ 287.06219 163.5
[M]- 287.06329 163.5
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.