CID 3083883

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecyl acrylate

Structural Information

Molecular Formula
C14H6F20O2
SMILES
C=CC(=O)OC(C(C(C(C(C(C(C(C(C(CF)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C14H6F20O2/c1-2-4(35)36-5(16)7(19,20)9(23,24)11(27,28)13(31,32)14(33,34)12(29,30)10(25,26)8(21,22)6(17,18)3-15/h2,5H,1,3H2
InChIKey
HBFWXGZKVGSZKO-UHFFFAOYSA-N
Compound name
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-icosafluoroundecyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15
Patents

586.0048 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.01208 183.9
[M+Na]+ 608.99402 189.7
[M-H]- 584.99752 193.8
[M+NH4]+ 604.03862 196.8
[M+K]+ 624.96796 200.5
[M+H-H2O]+ 569.00206 173.6
[M+HCOO]- 631.00300 200.1
[M+CH3COO]- 645.01865 250.4
[M+Na-2H]- 606.97947 183.8
[M]+ 586.00425 181.8
[M]- 586.00535 181.8
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