CID 7275220

5-bromo-n-(4-ethoxyphenyl)-2-fluorobenzamide

Structural Information

Molecular Formula
C15H13BrFNO2
SMILES
CCOC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Br)F
InChI
InChI=1S/C15H13BrFNO2/c1-2-20-12-6-4-11(5-7-12)18-15(19)13-9-10(16)3-8-14(13)17/h3-9H,2H2,1H3,(H,18,19)
InChIKey
OIZIURYHYFWKCF-UHFFFAOYSA-N
Compound name
5-bromo-N-(4-ethoxyphenyl)-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.01138 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.01866 168.5
[M+Na]+ 360.00060 179.0
[M-H]- 336.00410 176.4
[M+NH4]+ 355.04520 185.6
[M+K]+ 375.97454 166.9
[M+H-H2O]+ 320.00864 165.7
[M+HCOO]- 382.00958 189.3
[M+CH3COO]- 396.02523 208.1
[M+Na-2H]- 357.98605 173.0
[M]+ 337.01083 187.1
[M]- 337.01193 187.1
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.