CID 2776195

3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexyl methacrylate

Structural Information

Molecular Formula
C11H9F11O2
SMILES
CC(=C)C(=O)OCCC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F
InChI
InChI=1S/C11H9F11O2/c1-5(2)6(23)24-4-3-7(12,13)9(15,16)8(14,10(17,18)19)11(20,21)22/h1,3-4H2,2H3
InChIKey
JTEKNLSWXJADLG-UHFFFAOYSA-N
Compound name
[3,3,4,4,5,6,6,6-octafluoro-5-(trifluoromethyl)hexyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

330
Patents

382.0427 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.04998 171.4
[M+Na]+ 405.03192 179.5
[M-H]- 381.03542 158.9
[M+NH4]+ 400.07652 166.4
[M+K]+ 421.00586 176.7
[M+H-H2O]+ 365.03996 159.2
[M+HCOO]- 427.04090 175.1
[M+CH3COO]- 441.05655 217.5
[M+Na-2H]- 403.01737 172.2
[M]+ 382.04215 156.3
[M]- 382.04325 156.3
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