CID 57349933

426-64-2

Structural Information

Molecular Formula
C18H20F14O4
SMILES
C(CCCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F)CCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H20F14O4/c19-13(20,15(23,24)17(27,28)29)11(33)35-9-7-5-3-1-2-4-6-8-10-36-12(34)14(21,22)16(25,26)18(30,31)32/h1-10H2
InChIKey
AVVCGEANSDZGAS-UHFFFAOYSA-N
Compound name
10-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)decyl 2,2,3,3,4,4,4-heptafluorobutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

566.11383 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.12111 190.5
[M+Na]+ 589.10305 196.5
[M-H]- 565.10655 195.5
[M+NH4]+ 584.14765 201.9
[M+K]+ 605.07699 203.6
[M+H-H2O]+ 549.11109 183.3
[M+HCOO]- 611.11203 205.6
[M+CH3COO]- 625.12768 247.3
[M+Na-2H]- 587.08850 186.1
[M]+ 566.11328 188.2
[M]- 566.11438 188.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.