CID 107516

4180-26-1

Structural Information

Molecular Formula
C12H6F16O2
SMILES
C=CC(=O)OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H6F16O2/c1-2-4(29)30-3-6(15,16)8(19,20)10(23,24)12(27,28)11(25,26)9(21,22)7(17,18)5(13)14/h2,5H,1,3H2
InChIKey
QXDKTLFTMZTCKT-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

398
Patents

486.01123 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.01851 166.3
[M+Na]+ 509.00045 166.3
[M+NH4]+ 504.04505 165.8
[M+K]+ 524.97439 166.2
[M-H]- 485.00395 164.2
[M+Na-2H]- 506.98590 166.0
[M]+ 486.01068 165.6
[M]- 486.01178 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe