CID 139595196

N:2 ftacr n=7

Structural Information

Molecular Formula
C14H11F15O2
SMILES
CC(=C)CC(=O)OCCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H11F15O2/c1-6(2)5-7(30)31-4-3-8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h1,3-5H2,2H3
InChIKey
HCMCTTOHWLTNSZ-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl 3-methylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

496.05194 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.05922 174.8
[M+Na]+ 519.04116 181.9
[M-H]- 495.04466 181.8
[M+NH4]+ 514.08576 186.1
[M+K]+ 535.01510 189.3
[M+H-H2O]+ 479.04920 166.5
[M+HCOO]- 541.05014 191.6
[M+CH3COO]- 555.06579 237.7
[M+Na-2H]- 517.02661 173.3
[M]+ 496.05139 173.6
[M]- 496.05249 173.6
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.