CID 139596927

4:6 perfluorophosphinate

Structural Information

Molecular Formula
C10HF22O2P
SMILES
C(C(C(C(F)(F)P(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10HF22O2P/c11-1(12,3(15,16)7(23,24)25)2(13,14)5(19,20)9(29,30)35(33,34)10(31,32)6(21,22)4(17,18)8(26,27)28/h(H,33,34)
InChIKey
RKLDUEMWNXOSPP-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluorobutyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

601.9363 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 602.94358 184.7
[M+Na]+ 624.92552 187.8
[M-H]- 600.92902 195.1
[M+NH4]+ 619.97012 195.3
[M+K]+ 640.89946 198.4
[M+H-H2O]+ 584.93356 166.2
[M+HCOO]- 646.93450 204.4
[M+CH3COO]- 660.95015 248.8
[M+Na-2H]- 622.91097 183.1
[M]+ 601.93575 181.7
[M]- 601.93685 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.