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

33
Patents

532.0331 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.04038 176.1
[M+Na]+ 555.02232 182.3
[M-H]- 531.02582 183.5
[M+NH4]+ 550.06692 187.1
[M+K]+ 570.99626 190.9
[M+H-H2O]+ 515.03036 166.2
[M+HCOO]- 577.03130 195.0
[M+CH3COO]- 591.04695 242.4
[M+Na-2H]- 553.00777 174.9
[M]+ 532.03255 174.9
[M]- 532.03365 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