CID 139597809

N:2 ftacr n=9

Structural Information

Molecular Formula
C16H11F19O2
SMILES
CC(=C)CC(=O)OCCC(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
InChI
InChI=1S/C16H11F19O2/c1-6(2)5-7(36)37-4-3-8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)35/h1,3-5H2,2H3
InChIKey
XGFZPBDEWPHUOH-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl 3-methylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.0456 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.05288 153.8
[M+Na]+ 619.03482 153.8
[M+NH4]+ 614.07942 153.9
[M+K]+ 635.00876 153.9
[M-H]- 595.03832 153.8
[M+Na-2H]- 617.02027 160.9
[M]+ 596.04505 153.8
[M]- 596.04615 153.8
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.