CID 80852

6410-09-9

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/c20-15-10-9-11-5-1-2-6-12(11)16(15)18-17-13-7-3-4-8-14(13)19(21)22/h1-10,20H

InChIKey

YTVNZOABECTEPK-UHFFFAOYSA-N

Compound name

1-[(2-nitrophenyl)diazenyl]naphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 253
Patents: 293.08005 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.087326	161.4
[M+Na]+	316.069268	168.0
[M-H]-	292.072774	170.5
[M+NH4]+	311.113873	176.5
[M+K]+	332.043208	160.4
[M+H-H2O]+	276.077310	156.8
[M+HCOO]-	338.078251	189.5
[M+CH3COO]-	352.093901	203.5
[M+Na-2H]-	314.054716	172.0
[M]+	293.07950142	160.9
[M]-	293.08059858	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe