CID 91997797

61726-44-1

Structural Information

Molecular Formula
C10H10F13O3P
SMILES
COP(=O)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC
InChI
InChI=1S/C10H10F13O3P/c1-25-27(24,26-2)4-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h3-4H2,1-2H3
InChIKey
MJRRAUCJAYEEOS-UHFFFAOYSA-N
Compound name
8-dimethoxyphosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

456.016 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.02328 167.4
[M+Na]+ 479.00522 172.7
[M-H]- 455.00872 172.3
[M+NH4]+ 474.04982 176.8
[M+K]+ 494.97916 176.8
[M+H-H2O]+ 439.01326 152.3
[M+HCOO]- 501.01420 190.0
[M+CH3COO]- 515.02985 230.4
[M+Na-2H]- 476.99067 163.0
[M]+ 456.01545 166.0
[M]- 456.01655 166.0
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.