CID 5106510

166172-69-6

Structural Information

Molecular Formula

C₁₆H₇F₁₂P

SMILES

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

InChI

InChI=1S/C16H7F12P/c17-13(18,19)7-1-8(14(20,21)22)4-11(3-7)29-12-5-9(15(23,24)25)2-10(6-12)16(26,27)28/h1-6,29H

InChIKey

OTQIBIWGQUJMOM-UHFFFAOYSA-N

Compound name

bis[3,5-bis(trifluoromethyl)phenyl]phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 250
Patents: 458.00937 Da
Monoisotopic Mass: 6.6
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]+	459.016646	202.0
[M+Na]+	480.998588	213.4
[M-H]-	457.002094	193.9
[M+NH4]+	476.043193	211.3
[M+K]+	496.972528	205.9
[M+H-H2O]+	441.006630	183.4
[M+HCOO]-	503.007571	210.7
[M+CH3COO]-	517.023221	232.1
[M+Na-2H]-	478.984036	198.2
[M]+	458.00882142	186.5
[M]-	458.00991858	186.5

Literature stripe

literature stripe

Patent stripe

patents stripe