CID 3065789

Phosphinic acid, (p-aminophenyl)phenyl-

Structural Information

Molecular Formula

C₁₂H₁₂NO₂P

SMILES

C1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)N)O

InChI

InChI=1S/C12H12NO2P/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H,13H2,(H,14,15)

InChIKey

SNJJVDVIZVIEMA-UHFFFAOYSA-N

Compound name

(4-aminophenyl)-phenylphosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 233.06056 Da
Monoisotopic Mass: 1.9
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]+	234.067836	152.2
[M+Na]+	256.049778	159.2
[M-H]-	232.053284	156.2
[M+NH4]+	251.094383	169.1
[M+K]+	272.023718	155.4
[M+H-H2O]+	216.057820	143.2
[M+HCOO]-	278.058761	180.1
[M+CH3COO]-	292.074411	189.5
[M+Na-2H]-	254.035226	156.0
[M]+	233.06001142	150.1
[M]-	233.06110858	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe