CID 77111

Einecs 250-774-0

Structural Information

Molecular Formula

C₁₆H₁₁ClN₂O₂

SMILES

C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)Cl)O)O

InChI

InChI=1S/C16H11ClN2O2/c17-11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21/h1-9,20-21H

InChIKey

HQKOBNMULFASAN-UHFFFAOYSA-N

Compound name

1-[(5-chloro-2-hydroxyphenyl)diazenyl]naphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1307
Patents: 298.0509 Da
Monoisotopic Mass: 4.9
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]+	299.05818	165.1
[M+Na]+	321.04012	181.6
[M+NH4]+	316.08472	174.6
[M+K]+	337.01406	172.3
[M-H]-	297.04362	171.9
[M+Na-2H]-	319.02557	175.2
[M]+	298.05035	169.8
[M]-	298.05145	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe