CID 4000958

4-(4-nitrophenylazo)catechol

Structural Information

Molecular Formula
C12H9N3O4
SMILES
C1=CC(=CC=C1N=NC2=CC(=C(C=C2)O)O)[N+](=O)[O-]
InChI
InChI=1S/C12H9N3O4/c16-11-6-3-9(7-12(11)17)14-13-8-1-4-10(5-2-8)15(18)19/h1-7,16-17H
InChIKey
DGOZWUSVOBKXNR-UHFFFAOYSA-N
Compound name
4-[(4-nitrophenyl)diazenyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

259.0593 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06658 153.8
[M+Na]+ 282.04852 167.2
[M+NH4]+ 277.09312 161.0
[M+K]+ 298.02246 163.8
[M-H]- 258.05202 159.7
[M+Na-2H]- 280.03397 162.3
[M]+ 259.05875 157.1
[M]- 259.05985 157.1
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