CID 91998022

61726-43-0

Structural Information

Molecular Formula
C12H10F17O3P
SMILES
COP(=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)OC
InChI
InChI=1S/C12H10F17O3P/c1-31-33(30,32-2)4-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h3-4H2,1-2H3
InChIKey
XEYTXSGNJOYNKO-UHFFFAOYSA-N
Compound name
10-dimethoxyphosphoryl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

556.0096 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.01688 183.5
[M+Na]+ 578.99882 187.6
[M-H]- 555.00232 191.5
[M+NH4]+ 574.04342 194.9
[M+K]+ 594.97276 195.9
[M+H-H2O]+ 539.00686 166.4
[M+HCOO]- 601.00780 204.9
[M+CH3COO]- 615.02345 246.2
[M+Na-2H]- 576.98427 179.5
[M]+ 556.00905 182.1
[M]- 556.01015 182.1
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.