CID 4643062

N-(2-bromo-6-nitrophenyl)acetamide

Structural Information

Molecular Formula
C8H7BrN2O3
SMILES
CC(=O)NC1=C(C=CC=C1Br)[N+](=O)[O-]
InChI
InChI=1S/C8H7BrN2O3/c1-5(12)10-8-6(9)3-2-4-7(8)11(13)14/h2-4H,1H3,(H,10,12)
InChIKey
MBAPRVODHSSHJA-UHFFFAOYSA-N
Compound name
N-(2-bromo-6-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

257.964 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.97128 147.4
[M+Na]+ 280.95322 150.1
[M+NH4]+ 275.99782 151.3
[M+K]+ 296.92716 153.2
[M-H]- 256.95672 148.7
[M+Na-2H]- 278.93867 149.9
[M]+ 257.96345 146.7
[M]- 257.96455 146.7
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

patents stripe