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
2
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 190.4
[M+Na]+ 619.03482 196.1
[M-H]- 595.03832 200.1
[M+NH4]+ 614.07942 203.4
[M+K]+ 635.00876 207.2
[M+H-H2O]+ 579.04286 179.7
[M+HCOO]- 641.04380 206.3
[M+CH3COO]- 655.05945 252.3
[M+Na-2H]- 617.02027 189.2
[M]+ 596.04505 188.9
[M]- 596.04615 188.9
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.