CID 4398848

2-bromo-n-(3-chloro-4-fluorophenyl)acetamide

Structural Information

Molecular Formula
C8H6BrClFNO
SMILES
C1=CC(=C(C=C1NC(=O)CBr)Cl)F
InChI
InChI=1S/C8H6BrClFNO/c9-4-8(13)12-5-1-2-7(11)6(10)3-5/h1-3H,4H2,(H,12,13)
InChIKey
KYGXRNBDSUCFNX-UHFFFAOYSA-N
Compound name
2-bromo-N-(3-chloro-4-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.93054 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.93782 144.3
[M+Na]+ 287.91976 157.2
[M-H]- 263.92326 149.6
[M+NH4]+ 282.96436 165.4
[M+K]+ 303.89370 143.9
[M+H-H2O]+ 247.92780 144.1
[M+HCOO]- 309.92874 161.6
[M+CH3COO]- 323.94439 193.0
[M+Na-2H]- 285.90521 150.6
[M]+ 264.92999 163.2
[M]- 264.93109 163.2
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.