CID 9570830

Nicotinoyl bromide, p-nitrophenylhydrazone

Structural Information

Molecular Formula
C12H9BrN4O2
SMILES
C1=CC(=CN=C1)/C(=N/NC2=CC=C(C=C2)[N+](=O)[O-])/Br
InChI
InChI=1S/C12H9BrN4O2/c13-12(9-2-1-7-14-8-9)16-15-10-3-5-11(6-4-10)17(18)19/h1-8,15H/b16-12-
InChIKey
XXFGYWAIWJNUGC-VBKFSLOCSA-N
Compound name
(3Z)-N-(4-nitrophenyl)pyridine-3-carbohydrazonoyl bromide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.99088 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.99816 162.0
[M+Na]+ 342.98010 165.6
[M+NH4]+ 338.02470 166.0
[M+K]+ 358.95404 167.3
[M-H]- 318.98360 166.0
[M+Na-2H]- 340.96555 167.6
[M]+ 319.99033 162.3
[M]- 319.99143 162.3
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.