CID 138394912

Bis(heneicosafluorodecyl)phosphinic acid

Structural Information

Molecular Formula
C20H9F34O2P
SMILES
C(CP(=O)(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)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
InChI
InChI=1S/C20H9F34O2P/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57(55,56)4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2,(H,55,56)
InChIKey
DEENCVDXCNHHAM-UHFFFAOYSA-N
Compound name
bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

957.97974 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 958.98702 246.5
[M+Na]+ 980.96896 246.9
[M-H]- 956.97246 259.1
[M+NH4]+ 976.01356 258.0
[M+K]+ 996.94290 262.5
[M+H-H2O]+ 940.97700 229.3
[M+HCOO]- 1002.9779 259.9
[M+CH3COO]- 1016.9936 277.7
[M+Na-2H]- 978.95441 246.3
[M]+ 957.97919 242.3
[M]- 957.98029 242.3
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.