CID 3013855

307-87-9

Structural Information

Molecular Formula
C12H5F17O2
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)F
InChI
InChI=1S/C12H5F17O2/c1-2-4(30)31-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2H,1,3H2
InChIKey
BZYSOYLWVDQYMZ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

93
Patents

504.0018 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.00908 163.2
[M+Na]+ 526.99102 163.2
[M+NH4]+ 522.03562 162.9
[M+K]+ 542.96496 163.5
[M-H]- 502.99452 161.7
[M+Na-2H]- 524.97647 163.3
[M]+ 504.00125 162.7
[M]- 504.00235 162.7
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