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]+ 605.002676 184.4
[M+Na]+ 626.984618 189.6
[M-H]- 602.988124 194.8
[M+NH4]+ 622.029223 197.0
[M+K]+ 642.958558 201.1
[M+H-H2O]+ 586.992660 172.8
[M+HCOO]- 648.993601 202.8
[M+CH3COO]- 663.009251 251.7
[M+Na-2H]- 624.970066 184.7
[M]+ 603.99485142 183.2
[M]- 603.99594858 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