CID 40488767

5-bromo-n-(2,6-diethylphenyl)-2-fluorobenzamide

Structural Information

Molecular Formula
C17H17BrFNO
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(C=CC(=C2)Br)F
InChI
InChI=1S/C17H17BrFNO/c1-3-11-6-5-7-12(4-2)16(11)20-17(21)14-10-13(18)8-9-15(14)19/h5-10H,3-4H2,1-2H3,(H,20,21)
InChIKey
IKVGVSGLXPSMKL-UHFFFAOYSA-N
Compound name
5-bromo-N-(2,6-diethylphenyl)-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.04776 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.05504 174.6
[M+Na]+ 372.03698 185.3
[M-H]- 348.04048 182.6
[M+NH4]+ 367.08158 191.6
[M+K]+ 388.01092 172.2
[M+H-H2O]+ 332.04502 171.8
[M+HCOO]- 394.04596 194.6
[M+CH3COO]- 408.06161 212.9
[M+Na-2H]- 370.02243 177.3
[M]+ 349.04721 192.9
[M]- 349.04831 192.9
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.