CID 79174

4-(4-nitrophenylazo)-1-naphthol

Structural Information

Molecular Formula
C16H11N3O3
SMILES
C1=CC=C2C(=C1)C(=CC=C2O)N=NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H11N3O3/c20-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)19(21)22/h1-10,20H
InChIKey
MDLLSWJQIIAUQU-UHFFFAOYSA-N
Compound name
4-[(4-nitrophenyl)diazenyl]naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

74
Patents

293.08005 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08733 163.4
[M+Na]+ 316.06927 178.9
[M+NH4]+ 311.11387 172.2
[M+K]+ 332.04321 173.1
[M-H]- 292.07277 171.4
[M+Na-2H]- 314.05472 173.5
[M]+ 293.07950 167.8
[M]- 293.08060 167.8
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