CID 9561280

4-nitrobenzaldehyde hydrazone

Structural Information

Molecular Formula

C₇H₇N₃O₂

SMILES

C1=CC(=CC=C1/C=N/N)[N+](=O)[O-]

InChI

InChI=1S/C7H7N3O2/c8-9-5-6-1-3-7(4-2-6)10(11)12/h1-5H,8H2/b9-5+

InChIKey

XSMGFCXFKFLEMI-WEVVVXLNSA-N

Compound name

(E)-(4-nitrophenyl)methylidenehydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 165.05383 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	166.06111	129.3
[M+Na]+	188.04305	136.3
[M-H]-	164.04655	134.2
[M+NH4]+	183.08765	148.9
[M+K]+	204.01699	131.0
[M+H-H2O]+	148.05109	127.5
[M+HCOO]-	210.05203	158.8
[M+CH3COO]-	224.06768	177.5
[M+Na-2H]-	186.02850	138.8
[M]+	165.05328	126.4
[M]-	165.05438	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe