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

68
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 145.7
[M+Na]+ 280.95322 156.0
[M-H]- 256.95672 152.2
[M+NH4]+ 275.99782 165.0
[M+K]+ 296.92716 141.5
[M+H-H2O]+ 240.96126 148.7
[M+HCOO]- 302.96220 169.2
[M+CH3COO]- 316.97785 187.9
[M+Na-2H]- 278.93867 153.5
[M]+ 257.96345 163.0
[M]- 257.96455 163.0
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

patents stripe