CID 10303542

344580-04-7

Structural Information

Molecular Formula
C13H6F20O2
SMILES
C(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)C(=O)OCC(F)(F)F
InChI
InChI=1S/C13H6F20O2/c14-5(15,2-1-4(34)35-3-6(16,17)18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)33/h1-3H2
InChIKey
BLEHPPKIGGUMEF-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

574.0048 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.01208 178.9
[M+Na]+ 596.99402 184.2
[M-H]- 572.99752 187.4
[M+NH4]+ 592.03862 190.4
[M+K]+ 612.96796 194.5
[M+H-H2O]+ 557.00206 168.3
[M+HCOO]- 619.00300 197.1
[M+CH3COO]- 633.01865 247.5
[M+Na-2H]- 594.97947 178.7
[M]+ 574.00425 177.0
[M]- 574.00535 177.0
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

patents stripe