CID 10966358

2-bromo-2-(4-fluorophenyl)acetamide

Structural Information

Molecular Formula
C8H7BrFNO
SMILES
C1=CC(=CC=C1C(C(=O)N)Br)F
InChI
InChI=1S/C8H7BrFNO/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7H,(H2,11,12)
InChIKey
FDWUBKJXMHZBKT-UHFFFAOYSA-N
Compound name
2-bromo-2-(4-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

230.9695 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.976776 141.6
[M+Na]+ 253.958718 152.1
[M-H]- 229.962224 146.1
[M+NH4]+ 249.003323 162.3
[M+K]+ 269.932658 141.0
[M+H-H2O]+ 213.966760 140.3
[M+HCOO]- 275.967701 161.5
[M+CH3COO]- 289.983351 189.2
[M+Na-2H]- 251.944166 146.4
[M]+ 230.96895142 156.6
[M]- 230.97004858 156.6
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

patents stripe