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]+ 245.992426 146.3
[M+Na]+ 267.974368 156.4
[M-H]- 243.977874 150.6
[M+NH4]+ 263.018973 166.4
[M+K]+ 283.948308 145.0
[M+H-H2O]+ 227.982410 144.8
[M+HCOO]- 289.983351 165.9
[M+CH3COO]- 303.999001 192.1
[M+Na-2H]- 265.959816 150.6
[M]+ 244.98460142 161.6
[M]- 244.98569858 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.