CID 2776196

4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl acrylate

Structural Information

Molecular Formula
C11H9F11O3
SMILES
C=CC(=O)OCC(CC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)O
InChI
InChI=1S/C11H9F11O3/c1-2-6(24)25-4-5(23)3-7(12,13)9(15,16)8(14,10(17,18)19)11(20,21)22/h2,5,23H,1,3-4H2
InChIKey
UMWCHHTXFDYJDZ-UHFFFAOYSA-N
Compound name
[4,4,5,5,6,7,7,7-octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

445
Patents

398.0376 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.04488 174.2
[M+Na]+ 421.02682 181.7
[M-H]- 397.03032 161.4
[M+NH4]+ 416.07142 164.7
[M+K]+ 437.00076 178.7
[M+H-H2O]+ 381.03486 162.1
[M+HCOO]- 443.03580 173.4
[M+CH3COO]- 457.05145 216.8
[M+Na-2H]- 419.01227 174.9
[M]+ 398.03705 155.3
[M]- 398.03815 155.3
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