CID 223978

(4-aminobenzyl)phosphonic acid

Structural Information

Molecular Formula

C₇H₁₀NO₃P

SMILES

C1=CC(=CC=C1CP(=O)(O)O)N

InChI

InChI=1S/C7H10NO3P/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)

InChIKey

NEKHKXMBGWNTOO-UHFFFAOYSA-N

Compound name

(4-aminophenyl)methylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 335
Patents: 187.03983 Da
Monoisotopic Mass: -0.8
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]+	188.04711	140.1
[M+Na]+	210.02905	147.4
[M-H]-	186.03255	139.8
[M+NH4]+	205.07365	158.5
[M+K]+	226.00299	145.0
[M+H-H2O]+	170.03709	132.7
[M+HCOO]-	232.03803	166.9
[M+CH3COO]-	246.05368	178.2
[M+Na-2H]-	208.01450	143.6
[M]+	187.03928	138.4
[M]-	187.04038	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe