CID 18443720

1,1,1-trifluoro-2-trifluoromethyl-2-hydroxy-4-methyl-5-pentyl methacrylate

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

183
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 160.5
[M+Na]+ 331.07394 166.9
[M-H]- 307.07744 151.7
[M+NH4]+ 326.11854 174.4
[M+K]+ 347.04788 165.1
[M+H-H2O]+ 291.08198 151.9
[M+HCOO]- 353.08292 168.5
[M+CH3COO]- 367.09857 202.2
[M+Na-2H]- 329.05939 160.5
[M]+ 308.08417 153.0
[M]- 308.08527 153.0
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