CID 4267574

Disperse yellow 9

Structural Information

Molecular Formula
C12H10N4O4
SMILES
C1=CC(=CC=C1N)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H10N4O4/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(17)18)7-12(11)16(19)20/h1-7,14H,13H2
InChIKey
JMDHCJDATBJFJS-UHFFFAOYSA-N
Compound name
4-N-(2,4-dinitrophenyl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

342
Patents

274.0702 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07748 155.6
[M+Na]+ 297.05942 160.1
[M-H]- 273.06292 161.8
[M+NH4]+ 292.10402 168.2
[M+K]+ 313.03336 149.0
[M+H-H2O]+ 257.06746 156.1
[M+HCOO]- 319.06840 182.8
[M+CH3COO]- 333.08405 192.0
[M+Na-2H]- 295.04487 164.5
[M]+ 274.06965 150.0
[M]- 274.07075 150.0
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