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
2
Annotation Hits

1
References

26
Patents

165.05383 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.061106 129.3
[M+Na]+ 188.043048 136.3
[M-H]- 164.046554 134.2
[M+NH4]+ 183.087653 148.9
[M+K]+ 204.016988 131.0
[M+H-H2O]+ 148.051090 127.5
[M+HCOO]- 210.052031 158.8
[M+CH3COO]- 224.067681 177.5
[M+Na-2H]- 186.028496 138.8
[M]+ 165.05328142 126.4
[M]- 165.05437858 126.4
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