CID 121615

7-nitro-3-phenyl-1-naphthol

Structural Information

Molecular Formula

C₁₆H₁₁NO₃

SMILES

C1=CC=C(C=C1)C2=CC(=C3C=C(C=CC3=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H11NO3/c18-16-9-13(11-4-2-1-3-5-11)8-12-6-7-14(17(19)20)10-15(12)16/h1-10,18H

InChIKey

VJQHQIRKHZXMQF-UHFFFAOYSA-N

Compound name

7-nitro-3-phenylnaphthalen-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 265.07388 Da
Monoisotopic Mass: 4.3
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]+	266.081156	156.6
[M+Na]+	288.063098	164.0
[M-H]-	264.066604	163.3
[M+NH4]+	283.107703	172.4
[M+K]+	304.037038	155.2
[M+H-H2O]+	248.071140	153.4
[M+HCOO]-	310.072081	179.7
[M+CH3COO]-	324.087731	190.2
[M+Na-2H]-	286.048546	165.2
[M]+	265.07333142	154.7
[M]-	265.07442858	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe