CID 9587880

Pyruvoyl bromide 4-nitrophenylhydrazone

Structural Information

Molecular Formula
C9H8BrN3O3
SMILES
CC(=O)/C(=N/NC1=CC=C(C=C1)[N+](=O)[O-])/Br
InChI
InChI=1S/C9H8BrN3O3/c1-6(14)9(10)12-11-7-2-4-8(5-3-7)13(15)16/h2-5,11H,1H3/b12-9-
InChIKey
LVXFVDXAUKEGNG-XFXZXTDPSA-N
Compound name
(1Z)-N-(4-nitrophenyl)-2-oxopropanehydrazonoyl bromide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.9749 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.98218 153.3
[M+Na]+ 307.96412 154.6
[M+NH4]+ 303.00872 156.5
[M+K]+ 323.93806 158.1
[M-H]- 283.96762 154.8
[M+Na-2H]- 305.94957 155.6
[M]+ 284.97435 152.3
[M]- 284.97545 152.3
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.