CID 75480645

2-bromo-3-(4-fluorophenyl)propanamide

Structural Information

Molecular Formula
C9H9BrFNO
SMILES
C1=CC(=CC=C1CC(C(=O)N)Br)F
InChI
InChI=1S/C9H9BrFNO/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8H,5H2,(H2,12,13)
InChIKey
ISLSMDMOUXWHQC-UHFFFAOYSA-N
Compound name
2-bromo-3-(4-fluorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.98515 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.99243 146.3
[M+Na]+ 267.97437 156.4
[M-H]- 243.97787 150.6
[M+NH4]+ 263.01897 166.4
[M+K]+ 283.94831 145.0
[M+H-H2O]+ 227.98241 144.8
[M+HCOO]- 289.98335 165.9
[M+CH3COO]- 303.99900 192.1
[M+Na-2H]- 265.95982 150.6
[M]+ 244.98460 161.6
[M]- 244.98570 161.6
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.