CID 5718061

4'-nitroacetophenone 4-nitrophenylhydrazone

Structural Information

Molecular Formula
C14H12N4O4
SMILES
C/C(=N/NC1=CC=C(C=C1)[N+](=O)[O-])/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H12N4O4/c1-10(11-2-6-13(7-3-11)17(19)20)15-16-12-4-8-14(9-5-12)18(21)22/h2-9,16H,1H3/b15-10-
InChIKey
HXWIDJSTRZCIBE-GDNBJRDFSA-N
Compound name
4-nitro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.08585 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.09313 165.0
[M+Na]+ 323.07507 168.2
[M-H]- 299.07857 172.4
[M+NH4]+ 318.11967 177.1
[M+K]+ 339.04901 157.8
[M+H-H2O]+ 283.08311 164.8
[M+HCOO]- 345.08405 192.7
[M+CH3COO]- 359.09970 199.1
[M+Na-2H]- 321.06052 173.6
[M]+ 300.08530 160.9
[M]- 300.08640 160.9
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

patents stripe