CID 284465

(4-iodophenyl)phenylphosphinic acid

Structural Information

Molecular Formula

C₁₂H₁₀IO₂P

SMILES

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

InChI

InChI=1S/C12H10IO2P/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H,(H,14,15)

InChIKey

OSYFQAPPCKSFKE-UHFFFAOYSA-N

Compound name

(4-iodophenyl)-phenylphosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 343.94632 Da
Monoisotopic Mass: 2.7
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]+	344.95360	164.9
[M+Na]+	366.93554	165.3
[M-H]-	342.93904	161.9
[M+NH4]+	361.98014	177.1
[M+K]+	382.90948	167.4
[M+H-H2O]+	326.94358	152.3
[M+HCOO]-	388.94452	186.5
[M+CH3COO]-	402.96017	196.1
[M+Na-2H]-	364.92099	156.6
[M]+	343.94577	161.8
[M]-	343.94687	161.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe