CID 46705442

731858-15-4

Structural Information

Molecular Formula

C₁₂H₅F₂₁O₂P

SMILES

C(C[P+](=O)O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C12H4F21O2P/c13-3(14,1-2-36(34)35)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2/p+1

InChIKey

IUAQXCCRPXDFHP-UHFFFAOYSA-O

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl-hydroxy-oxophosphanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 610.9692 Da
Monoisotopic Mass: 6.7
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]+	611.976476	205.1
[M+Na]+	633.958418	207.6
[M-H]-	609.961924	215.3
[M+NH4]+	629.003023	215.4
[M+K]+	649.932358	216.6
[M+H-H2O]+	593.966460	183.8
[M+HCOO]-	655.967401	224.3
[M+CH3COO]-	669.983051	246.0
[M+Na-2H]-	631.943866	200.7
[M]+	610.96865142	199.6
[M]-	610.96974858	199.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.