CID 46705441

731858-13-2

Structural Information

Molecular Formula
C10H5F17O2P
SMILES
C(C[P+](=O)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/C10H4F17O2P/c11-3(12,1-2-30(28)29)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2/p+1
InChIKey
AXKAKHBNDZYMAH-UHFFFAOYSA-O
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.97556 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.98284 186.3
[M+Na]+ 533.96478 189.9
[M-H]- 509.96828 194.0
[M+NH4]+ 529.00938 194.9
[M+K]+ 549.93872 195.2
[M+H-H2O]+ 493.97282 166.1
[M+HCOO]- 555.97376 206.9
[M+CH3COO]- 569.98941 231.3
[M+Na-2H]- 531.95023 181.5
[M]+ 510.97501 180.5
[M]- 510.97611 180.5
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.