CID 60651791

2-bromo-n-(2,6-difluorophenyl)acetamide

Structural Information

Molecular Formula
C8H6BrF2NO
SMILES
C1=CC(=C(C(=C1)F)NC(=O)CBr)F
InChI
InChI=1S/C8H6BrF2NO/c9-4-7(13)12-8-5(10)2-1-3-6(8)11/h1-3H,4H2,(H,12,13)
InChIKey
LJXCVUJEUXCGMQ-UHFFFAOYSA-N
Compound name
2-bromo-N-(2,6-difluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

248.96008 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.96736 143.4
[M+Na]+ 271.94930 155.2
[M-H]- 247.95280 147.5
[M+NH4]+ 266.99390 164.1
[M+K]+ 287.92324 143.6
[M+H-H2O]+ 231.95734 141.3
[M+HCOO]- 293.95828 163.9
[M+CH3COO]- 307.97393 192.1
[M+Na-2H]- 269.93475 149.2
[M]+ 248.95953 159.1
[M]- 248.96063 159.1
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