CID 80957

2-naphthalenol, 1-[(3-nitrophenyl)azo]-

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 161.4
[M+Na]+ 316.06927 168.0
[M-H]- 292.07277 170.5
[M+NH4]+ 311.11387 176.5
[M+K]+ 332.04321 160.4
[M+H-H2O]+ 276.07731 156.8
[M+HCOO]- 338.07825 189.5
[M+CH3COO]- 352.09390 203.5
[M+Na-2H]- 314.05472 172.0
[M]+ 293.07950 160.9
[M]- 293.08060 160.9
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.