CID 4366893

99665-68-6

Structural Information

Molecular Formula

C₁₄H₉F₆P

SMILES

C1=CC(=CC=C1C(F)(F)F)PC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H9F6P/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20/h1-8,21H

InChIKey

LLJITAAISCMRAR-UHFFFAOYSA-N

Compound name

bis[4-(trifluoromethyl)phenyl]phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 162
Patents: 322.0346 Da
Monoisotopic Mass: 4.8
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]+	323.04188	171.1
[M+Na]+	345.02382	180.4
[M-H]-	321.02732	169.1
[M+NH4]+	340.06842	185.8
[M+K]+	360.99776	174.5
[M+H-H2O]+	305.03186	156.7
[M+HCOO]-	367.03280	190.5
[M+CH3COO]-	381.04845	207.6
[M+Na-2H]-	343.00927	171.0
[M]+	322.03405	163.7
[M]-	322.03515	163.7

Literature stripe

literature stripe

Patent stripe

patents stripe