CID 18443720

853064-87-6

Structural Information

Molecular Formula
C11H14F6O3
SMILES
CC(CC(C(F)(F)F)(C(F)(F)F)O)COC(=O)C(=C)C
InChI
InChI=1S/C11H14F6O3/c1-6(2)8(18)20-5-7(3)4-9(19,10(12,13)14)11(15,16)17/h7,19H,1,4-5H2,2-3H3
InChIKey
WNAVFWSIXYHORQ-UHFFFAOYSA-N
Compound name
[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(trifluoromethyl)pentyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

308.08472 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09200 182.1
[M+Na]+ 331.07394 183.2
[M+NH4]+ 326.11854 181.8
[M+K]+ 347.04788 181.6
[M-H]- 307.07744 171.6
[M+Na-2H]- 329.05939 178.0
[M]+ 308.08417 178.7
[M]- 308.08527 178.7
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