CID 710353

2-(4-tert-butylphenoxy)-n-(4-fluorophenyl)acetamide

Structural Information

Molecular Formula
C18H20FNO2
SMILES
CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C18H20FNO2/c1-18(2,3)13-4-10-16(11-5-13)22-12-17(21)20-15-8-6-14(19)7-9-15/h4-11H,12H2,1-3H3,(H,20,21)
InChIKey
HSIGLHFPOOYNJM-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1478 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15508 171.0
[M+Na]+ 324.13702 177.4
[M-H]- 300.14052 176.3
[M+NH4]+ 319.18162 185.9
[M+K]+ 340.11096 173.6
[M+H-H2O]+ 284.14506 162.3
[M+HCOO]- 346.14600 192.0
[M+CH3COO]- 360.16165 207.0
[M+Na-2H]- 322.12247 174.8
[M]+ 301.14725 171.3
[M]- 301.14835 171.3
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.