CID 9581370

3-nitrobenzaldehyde phenylhydrazone

Structural Information

Molecular Formula
C13H11N3O2
SMILES
C1=CC=C(C=C1)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H11N3O2/c17-16(18)13-8-4-5-11(9-13)10-14-15-12-6-2-1-3-7-12/h1-10,15H/b14-10+
InChIKey
FHOAYWBRYJHYIT-GXDHUFHOSA-N
Compound name
N-[(E)-(3-nitrophenyl)methylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.08513 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.092406 150.2
[M+Na]+ 264.074348 155.5
[M-H]- 240.077854 158.0
[M+NH4]+ 259.118953 166.3
[M+K]+ 280.048288 148.3
[M+H-H2O]+ 224.082390 146.3
[M+HCOO]- 286.083331 179.6
[M+CH3COO]- 300.098981 192.3
[M+Na-2H]- 262.059796 160.2
[M]+ 241.08458142 147.8
[M]- 241.08567858 147.8
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.