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

23
References

6882
Patents

242.08037 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.087646 148.8
[M+Na]+ 265.069588 155.0
[M-H]- 241.073094 157.9
[M+NH4]+ 260.114193 165.2
[M+K]+ 281.043528 148.6
[M+H-H2O]+ 225.077630 144.5
[M+HCOO]- 287.078571 180.3
[M+CH3COO]- 301.094221 197.3
[M+Na-2H]- 263.055036 158.5
[M]+ 242.07982142 146.5
[M]- 242.08091858 146.5
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