CID 54594722

2-(4-bromo-2-fluorophenyl)-2-chloroacetamide

Structural Information

Molecular Formula
C8H6BrClFNO
SMILES
C1=CC(=C(C=C1Br)F)C(C(=O)N)Cl
InChI
InChI=1S/C8H6BrClFNO/c9-4-1-2-5(6(11)3-4)7(10)8(12)13/h1-3,7H,(H2,12,13)
InChIKey
BHTOIVRZPQFCDK-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-fluorophenyl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.93054 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.93782 145.4
[M+Na]+ 287.91976 157.9
[M-H]- 263.92326 150.2
[M+NH4]+ 282.96436 166.0
[M+K]+ 303.89370 144.6
[M+H-H2O]+ 247.92780 145.2
[M+HCOO]- 309.92874 161.1
[M+CH3COO]- 323.94439 193.9
[M+Na-2H]- 285.90521 149.4
[M]+ 264.92999 162.7
[M]- 264.93109 162.7
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.