CID 2773329

3-bromo-4-fluorobenzamide

Structural Information

Molecular Formula
C7H5BrFNO
SMILES
C1=CC(=C(C=C1C(=O)N)Br)F
InChI
InChI=1S/C7H5BrFNO/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11)
InChIKey
OGXMZSHJMFQWHL-UHFFFAOYSA-N
Compound name
3-bromo-4-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

216.95386 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.96114 135.7
[M+Na]+ 239.94308 147.8
[M-H]- 215.94658 140.7
[M+NH4]+ 234.98768 157.3
[M+K]+ 255.91702 136.5
[M+H-H2O]+ 199.95112 134.7
[M+HCOO]- 261.95206 156.9
[M+CH3COO]- 275.96771 186.7
[M+Na-2H]- 237.92853 141.7
[M]+ 216.95331 151.3
[M]- 216.95441 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