CID 43248499

3-bromo-5-fluorobenzamide

Structural Information

Molecular Formula
C7H5BrFNO
SMILES
C1=C(C=C(C=C1F)Br)C(=O)N
InChI
InChI=1S/C7H5BrFNO/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H2,10,11)
InChIKey
CFWMRENFPXKUBG-UHFFFAOYSA-N
Compound name
3-bromo-5-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

216.95386 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.961136 135.7
[M+Na]+ 239.943078 147.8
[M-H]- 215.946584 140.7
[M+NH4]+ 234.987683 157.3
[M+K]+ 255.917018 136.5
[M+H-H2O]+ 199.951120 134.7
[M+HCOO]- 261.952061 156.9
[M+CH3COO]- 275.967711 186.7
[M+Na-2H]- 237.928526 141.7
[M]+ 216.95331142 151.3
[M]- 216.95440858 151.3
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

patents stripe