CID 26614

2-(ethylsulfonyl)-2-(p-fluorophenyl)-2-phenylacetamide

Structural Information

Molecular Formula
C16H16FNO3S
SMILES
CCS(=O)(=O)C(C1=CC=CC=C1)(C2=CC=C(C=C2)F)C(=O)N
InChI
InChI=1S/C16H16FNO3S/c1-2-22(20,21)16(15(18)19,12-6-4-3-5-7-12)13-8-10-14(17)11-9-13/h3-11H,2H2,1H3,(H2,18,19)
InChIKey
MDLYQTVVLFOMFG-UHFFFAOYSA-N
Compound name
2-ethylsulfonyl-2-(4-fluorophenyl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.0835 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.09078 171.5
[M+Na]+ 344.07272 178.3
[M-H]- 320.07622 176.3
[M+NH4]+ 339.11732 185.2
[M+K]+ 360.04666 173.5
[M+H-H2O]+ 304.08076 163.3
[M+HCOO]- 366.08170 186.4
[M+CH3COO]- 380.09735 205.2
[M+Na-2H]- 342.05817 174.7
[M]+ 321.08295 171.5
[M]- 321.08405 171.5
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.