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

31
Patents

230.9695 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.97678 141.6
[M+Na]+ 253.95872 152.1
[M-H]- 229.96222 146.1
[M+NH4]+ 249.00332 162.3
[M+K]+ 269.93266 141.0
[M+H-H2O]+ 213.96676 140.3
[M+HCOO]- 275.96770 161.5
[M+CH3COO]- 289.98335 189.2
[M+Na-2H]- 251.94417 146.4
[M]+ 230.96895 156.6
[M]- 230.97005 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