CID 22630512

503564-50-9

Structural Information

Molecular Formula

C₆H₆F₉O₃P

SMILES

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

InChI

InChI=1S/C6H6F9O3P/c7-3(8,1-2-19(16,17)18)4(9,10)5(11,12)6(13,14)15/h1-2H2,(H2,16,17,18)

InChIKey

FGHHNAZKTIELTK-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,6-nonafluorohexylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 31
Patents: 327.9911 Da
Monoisotopic Mass: 1.9
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]+	328.99838	165.0
[M+Na]+	350.98032	173.3
[M-H]-	326.98382	151.2
[M+NH4]+	346.02492	145.2
[M+K]+	366.95426	170.7
[M+H-H2O]+	310.98836	152.8
[M+HCOO]-	372.98930	163.6
[M+CH3COO]-	387.00495	201.9
[M+Na-2H]-	348.96577	167.9
[M]+	327.99055	152.2
[M]-	327.99165	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe