CID 96536

4730-77-2

Structural Information

Molecular Formula

C₁₁H₁₁O₃P

SMILES

C1=CC=C2C(=C1)C=CC=C2CP(=O)(O)O

InChI

InChI=1S/C11H11O3P/c12-15(13,14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,12,13,14)

InChIKey

LYGCMUNBGIOQAB-UHFFFAOYSA-N

Compound name

naphthalen-1-ylmethylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 372
Patents: 222.04459 Da
Monoisotopic Mass: 1.2
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]+	223.05187	148.7
[M+Na]+	245.03381	156.6
[M-H]-	221.03731	149.6
[M+NH4]+	240.07841	167.2
[M+K]+	261.00775	153.1
[M+H-H2O]+	205.04185	141.1
[M+HCOO]-	267.04279	173.7
[M+CH3COO]-	281.05844	183.4
[M+Na-2H]-	243.01926	154.1
[M]+	222.04404	149.0
[M]-	222.04514	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe