CID 80957

Meta nitro orange mn

Structural Information

Molecular Formula
C16H11N3O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC(=CC=C3)[N+](=O)[O-])O
InChI
InChI=1S/C16H11N3O3/c20-15-9-8-11-4-1-2-7-14(11)16(15)18-17-12-5-3-6-13(10-12)19(21)22/h1-10,20H
InChIKey
IKTQBBCZGHFCLF-UHFFFAOYSA-N
Compound name
1-[(3-nitrophenyl)diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.08005 Da
Monoisotopic Mass

4.0
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

No patent data available for this compound.