CID 3024058

94231-57-9

Structural Information

Molecular Formula
C14H5F21O2
SMILES
C=CC(=O)OCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H5F21O2/c1-2-4(36)37-3-5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)14(33,34)35/h2H,1,3H2
InChIKey
FPBNSCOPAZCJAV-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

603.9954 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.00268 184.4
[M+Na]+ 626.98462 189.6
[M-H]- 602.98812 194.8
[M+NH4]+ 622.02922 197.0
[M+K]+ 642.95856 201.1
[M+H-H2O]+ 586.99266 172.8
[M+HCOO]- 648.99360 202.8
[M+CH3COO]- 663.00925 251.7
[M+Na-2H]- 624.97007 184.7
[M]+ 603.99485 183.2
[M]- 603.99595 183.2
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