CID 22917

Para red

Structural Information

Molecular Formula

C₁₆H₁₁N₃O₃

SMILES

C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H11N3O3/c20-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)19(21)22/h1-10,20H

InChIKey

WOTPFVNWMLFMFW-UHFFFAOYSA-N

Compound name

1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 8479
Patents: 293.08005 Da
Monoisotopic Mass: 4.0
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]+	294.08733	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

Literature stripe

literature stripe

Patent stripe

patents stripe