CID 2776166

4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxynonyl acrylate

Structural Information

Molecular Formula
C12H9F13O3
SMILES
C=CC(=O)OCC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C12H9F13O3/c1-2-6(27)28-4-5(26)3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h2,5,26H,1,3-4H2
InChIKey
GEEMGMOJBUUPBY-UHFFFAOYSA-N
Compound name
(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxynonyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1092
Patents

448.03442 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.04170 163.1
[M+Na]+ 471.02364 169.8
[M-H]- 447.02714 169.1
[M+NH4]+ 466.06824 172.1
[M+K]+ 486.99758 174.6
[M+H-H2O]+ 431.03168 155.5
[M+HCOO]- 493.03262 179.2
[M+CH3COO]- 507.04827 226.3
[M+Na-2H]- 469.00909 161.2
[M]+ 448.03387 161.1
[M]- 448.03497 161.1
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