CID 773723

4-tert-butyl-n-(2-fluorophenyl)benzamide

Structural Information

Molecular Formula
C17H18FNO
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2F
InChI
InChI=1S/C17H18FNO/c1-17(2,3)13-10-8-12(9-11-13)16(20)19-15-7-5-4-6-14(15)18/h4-11H,1-3H3,(H,19,20)
InChIKey
YRZSURUFPRQDNT-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(2-fluorophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

271.13724 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14452 162.8
[M+Na]+ 294.12646 169.8
[M-H]- 270.12996 168.4
[M+NH4]+ 289.17106 179.0
[M+K]+ 310.10040 165.7
[M+H-H2O]+ 254.13450 154.7
[M+HCOO]- 316.13544 184.0
[M+CH3COO]- 330.15109 202.0
[M+Na-2H]- 292.11191 167.1
[M]+ 271.13669 161.4
[M]- 271.13779 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe