CID 109733

Einecs 269-237-7

Structural Information

Molecular Formula
C18H13N5O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)O
InChI
InChI=1S/C18H13N5O3/c24-18-10-8-15(9-11-18)20-19-13-4-6-14(7-5-13)21-22-16-2-1-3-17(12-16)23(25)26/h1-12,24H
InChIKey
HFFLNPOQMNVCOC-UHFFFAOYSA-N
Compound name
4-[[4-[(3-nitrophenyl)diazenyl]phenyl]diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.10184 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.10912 175.9
[M+Na]+ 370.09106 180.7
[M-H]- 346.09456 189.4
[M+NH4]+ 365.13566 187.8
[M+K]+ 386.06500 173.8
[M+H-H2O]+ 330.09910 168.6
[M+HCOO]- 392.10004 209.5
[M+CH3COO]- 406.11569 221.3
[M+Na-2H]- 368.07651 186.5
[M]+ 347.10129 175.9
[M]- 347.10239 175.9
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

No patent data available for this compound.