CID 4379931

23039-97-6

Structural Information

Molecular Formula

C₁₂H₈ClF₂P

SMILES

C1=CC(=CC=C1F)P(C2=CC=C(C=C2)F)Cl

InChI

InChI=1S/C12H8ClF2P/c13-16(11-5-1-9(14)2-6-11)12-7-3-10(15)4-8-12/h1-8H

InChIKey

PYFWYPBHSZATST-UHFFFAOYSA-N

Compound name

chloro-bis(4-fluorophenyl)phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 132
Patents: 256.002 Da
Monoisotopic Mass: 4.0
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]+	257.00928	150.7
[M+Na]+	278.99122	160.3
[M-H]-	254.99472	153.9
[M+NH4]+	274.03582	169.1
[M+K]+	294.96516	154.3
[M+H-H2O]+	238.99926	140.6
[M+HCOO]-	301.00020	173.1
[M+CH3COO]-	315.01585	195.3
[M+Na-2H]-	276.97667	151.3
[M]+	256.00145	150.6
[M]-	256.00255	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe