CID 2060936

N-(4-ethylphenyl)-2-((4-fluorophenyl)thio)acetamide

Structural Information

Molecular Formula
C16H16FNOS
SMILES
CCC1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)F
InChI
InChI=1S/C16H16FNOS/c1-2-12-3-7-14(8-4-12)18-16(19)11-20-15-9-5-13(17)6-10-15/h3-10H,2,11H2,1H3,(H,18,19)
InChIKey
ZKUAMYYNOWVOIF-UHFFFAOYSA-N
Compound name
N-(4-ethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.09366 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.10094 164.2
[M+Na]+ 312.08288 171.2
[M-H]- 288.08638 169.5
[M+NH4]+ 307.12748 180.0
[M+K]+ 328.05682 165.7
[M+H-H2O]+ 272.09092 155.5
[M+HCOO]- 334.09186 182.0
[M+CH3COO]- 348.10751 202.9
[M+Na-2H]- 310.06833 165.6
[M]+ 289.09311 165.2
[M]- 289.09421 165.2
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.