CID 2776307

(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl) prop-2-enoate

Structural Information

Molecular Formula
C14H9F17O3
SMILES
C=CC(=O)OCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C14H9F17O3/c1-2-6(33)34-4-5(32)3-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h2,5,32H,1,3-4H2
InChIKey
DAEIFBGPFDVHNR-UHFFFAOYSA-N
Compound name
(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1006
Patents

548.028 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.03528 177.9
[M+Na]+ 571.01722 183.1
[M-H]- 547.02072 186.8
[M+NH4]+ 566.06182 188.9
[M+K]+ 586.99116 192.2
[M+H-H2O]+ 531.02526 167.5
[M+HCOO]- 593.02620 193.3
[M+CH3COO]- 607.04185 242.4
[M+Na-2H]- 569.00267 176.2
[M]+ 548.02745 175.6
[M]- 548.02855 175.6
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