CID 71300088

5'-bromo-2'-fluoro-3'-nitroacetanilide

Structural Information

Molecular Formula
C8H6BrFN2O3
SMILES
CC(=O)NC1=C(C(=CC(=C1)Br)[N+](=O)[O-])F
InChI
InChI=1S/C8H6BrFN2O3/c1-4(13)11-6-2-5(9)3-7(8(6)10)12(14)15/h2-3H,1H3,(H,11,13)
InChIKey
LLVZYBUNUQDKML-UHFFFAOYSA-N
Compound name
N-(5-bromo-2-fluoro-3-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.9546 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.96188 148.5
[M+Na]+ 298.94382 159.7
[M-H]- 274.94732 154.0
[M+NH4]+ 293.98842 167.4
[M+K]+ 314.91776 144.8
[M+H-H2O]+ 258.95186 150.8
[M+HCOO]- 320.95280 171.0
[M+CH3COO]- 334.96845 191.5
[M+Na-2H]- 296.92927 155.1
[M]+ 275.95405 165.2
[M]- 275.95515 165.2
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.