CID 11027847

1652-60-4

Structural Information

Molecular Formula
C14H9F17O2
SMILES
C=CC(=O)OCCCC(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/C14H9F17O2/c1-2-6(32)33-5-3-4-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h2H,1,3-5H2
InChIKey
GHAHNTDCKCXNGO-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
Patents

532.0331 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.040376 176.1
[M+Na]+ 555.022318 182.3
[M-H]- 531.025824 183.5
[M+NH4]+ 550.066923 187.1
[M+K]+ 570.996258 190.9
[M+H-H2O]+ 515.030360 166.2
[M+HCOO]- 577.031301 195.0
[M+CH3COO]- 591.046951 242.4
[M+Na-2H]- 553.007766 174.9
[M]+ 532.03255142 174.9
[M]- 532.03364858 174.9
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

patents stripe