CID 9588284

Brn 5074554

Structural Information

Molecular Formula
C12H9BrN4O2
SMILES
C1=CC(=CC=C1N/N=C(/C2=CC=NC=C2)\Br)[N+](=O)[O-]
InChI
InChI=1S/C12H9BrN4O2/c13-12(9-5-7-14-8-6-9)16-15-10-1-3-11(4-2-10)17(18)19/h1-8,15H/b16-12-
InChIKey
SFAPPHGOYWLMGF-VBKFSLOCSA-N
Compound name
(4Z)-N-(4-nitrophenyl)pyridine-4-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 159.5
[M+Na]+ 342.98010 167.3
[M-H]- 318.98360 168.2
[M+NH4]+ 338.02470 174.7
[M+K]+ 358.95404 152.1
[M+H-H2O]+ 302.98814 160.0
[M+HCOO]- 364.98908 184.0
[M+CH3COO]- 379.00473 201.8
[M+Na-2H]- 340.96555 169.7
[M]+ 319.99033 175.7
[M]- 319.99143 175.7
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

No patent data available for this compound.