CID 40488769

5-bromo-n-(2,5-dimethoxyphenyl)-2-fluorobenzamide

Structural Information

Molecular Formula
C15H13BrFNO3
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)C2=C(C=CC(=C2)Br)F
InChI
InChI=1S/C15H13BrFNO3/c1-20-10-4-6-14(21-2)13(8-10)18-15(19)11-7-9(16)3-5-12(11)17/h3-8H,1-2H3,(H,18,19)
InChIKey
WAWJMOAQVIDVQU-UHFFFAOYSA-N
Compound name
5-bromo-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.0063 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.01358 170.8
[M+Na]+ 375.99552 181.9
[M-H]- 351.99902 179.0
[M+NH4]+ 371.04012 187.4
[M+K]+ 391.96946 170.4
[M+H-H2O]+ 336.00356 167.8
[M+HCOO]- 398.00450 191.7
[M+CH3COO]- 412.02015 211.3
[M+Na-2H]- 373.98097 174.6
[M]+ 353.00575 191.0
[M]- 353.00685 191.0
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.