CID 162396553

Dtxsid301032455

Structural Information

Molecular Formula

C₁₀H₈F₁₅O₃P

SMILES

C(CP(=O)(O)O)C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C10H8F15O3P/c11-4(12,1-2-29(26,27)28)3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-3H2,(H2,26,27,28)

InChIKey

FDXMNJKLMNINAS-UHFFFAOYSA-N

Compound name

3,3,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluorodecylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 491.99716 Da
Monoisotopic Mass: 4.3
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]+	493.004436	167.7
[M+Na]+	514.986378	170.7
[M-H]-	490.989884	173.7
[M+NH4]+	510.030983	174.2
[M+K]+	530.960318	176.7
[M+H-H2O]+	474.994420	149.5
[M+HCOO]-	536.995361	187.2
[M+CH3COO]-	551.011011	231.6
[M+Na-2H]-	512.971826	162.7
[M]+	491.99661142	164.0
[M]-	491.99770858	164.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.