CID 11070933

350608-55-8

Structural Information

Molecular Formula
C12H14F13O3P
SMILES
CCOP(=O)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC
InChI
InChI=1S/C12H14F13O3P/c1-3-27-29(26,28-4-2)6-5-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h3-6H2,1-2H3
InChIKey
YPQKUXRTMVAZPK-UHFFFAOYSA-N
Compound name
8-diethoxyphosphoryl-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

5
Patents

484.0473 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.05458 175.1
[M+Na]+ 507.03652 180.0
[M-H]- 483.04002 179.3
[M+NH4]+ 502.08112 184.3
[M+K]+ 523.01046 184.8
[M+H-H2O]+ 467.04456 159.7
[M+HCOO]- 529.04550 196.9
[M+CH3COO]- 543.06115 235.7
[M+Na-2H]- 505.02197 169.7
[M]+ 484.04675 173.5
[M]- 484.04785 173.5
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

patents stripe