CID 12896

Disperse orange 3

Structural Information

Molecular Formula
C12H10N4O2
SMILES
C1=CC(=CC=C1N)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H10N4O2/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)16(17)18/h1-8H,13H2
InChIKey
UNBOSJFEZZJZLR-UHFFFAOYSA-N
Compound name
4-[(4-nitrophenyl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

22
References

5202
Patents

242.08037 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08765 151.1
[M+Na]+ 265.06959 164.7
[M+NH4]+ 260.11419 159.5
[M+K]+ 281.04353 160.0
[M-H]- 241.07309 159.1
[M+Na-2H]- 263.05504 161.2
[M]+ 242.07982 155.1
[M]- 242.08092 155.1
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