CID 3016470

48077-33-4

Structural Information

Molecular Formula
C13H7F17O2
SMILES
CC(=C)C(=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/C13H7F17O2/c1-4(2)5(31)32-3-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h1,3H2,2H3
InChIKey
ZDXYSIRXXGOEEA-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

71
Patents

518.01746 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.02474 175.1
[M+Na]+ 541.00668 181.9
[M-H]- 517.01018 184.2
[M+NH4]+ 536.05128 187.5
[M+K]+ 556.98062 190.6
[M+H-H2O]+ 501.01472 165.8
[M+HCOO]- 563.01566 192.3
[M+CH3COO]- 577.03131 240.5
[M+Na-2H]- 538.99213 174.7
[M]+ 518.01691 174.0
[M]- 518.01801 174.0
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