CID 136690

N-(4-bromo-2-nitrophenyl)acetamide

Structural Information

Molecular Formula
C8H7BrN2O3
SMILES
CC(=O)NC1=C(C=C(C=C1)Br)[N+](=O)[O-]
InChI
InChI=1S/C8H7BrN2O3/c1-5(12)10-7-3-2-6(9)4-8(7)11(13)14/h2-4H,1H3,(H,10,12)
InChIKey
GUBNCRISSRANNO-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

257.964 Da
Monoisotopic Mass

1.8
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

literature stripe

Patent stripe

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