CID 53916278

133377-48-7

Structural Information

Molecular Formula
C14H13F17O2
SMILES
CCOC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC
InChI
InChI=1S/C14H13F17O2/c1-3-32-6(33-4-2)5-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h6H,3-5H2,1-2H3
InChIKey
IHGUGSBDMLHOJL-UHFFFAOYSA-N
Compound name
10,10-diethoxy-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

536.0644 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.07168 178.8
[M+Na]+ 559.05362 184.0
[M-H]- 535.05712 184.9
[M+NH4]+ 554.09822 189.2
[M+K]+ 575.02756 193.3
[M+H-H2O]+ 519.06166 168.8
[M+HCOO]- 581.06260 196.4
[M+CH3COO]- 595.07825 244.8
[M+Na-2H]- 557.03907 176.8
[M]+ 536.06385 177.8
[M]- 536.06495 177.8
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.