CID 86290248

Einecs 238-908-6

Structural Information

Molecular Formula
C16H11N3O4
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)[N+](=O)[O-])O)O
InChI
InChI=1S/C16H11N3O4/c20-14-8-6-11(19(22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)21/h1-9,20-21H
InChIKey
JCELUWDKTLANOY-UHFFFAOYSA-N
Compound name
1-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

309.07495 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.08223 164.1
[M+Na]+ 332.06417 170.9
[M-H]- 308.06767 172.3
[M+NH4]+ 327.10877 178.1
[M+K]+ 348.03811 163.2
[M+H-H2O]+ 292.07221 159.8
[M+HCOO]- 354.07315 190.8
[M+CH3COO]- 368.08880 204.4
[M+Na-2H]- 330.04962 173.9
[M]+ 309.07440 163.6
[M]- 309.07550 163.6
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

patents stripe