CID 16050138

630414-85-6

Structural Information

Molecular Formula
C10H12F6O3
SMILES
CC(CC(C(F)(F)F)(C(F)(F)F)O)OC(=O)C(=C)C
InChI
InChI=1S/C10H12F6O3/c1-5(2)7(17)19-6(3)4-8(18,9(11,12)13)10(14,15)16/h6,18H,1,4H2,2-3H3
InChIKey
CZDKPGBADTUZLK-UHFFFAOYSA-N
Compound name
[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

884
Patents

294.06906 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07634 155.7
[M+Na]+ 317.05828 162.5
[M-H]- 293.06178 147.1
[M+NH4]+ 312.10288 170.2
[M+K]+ 333.03222 161.0
[M+H-H2O]+ 277.06632 147.3
[M+HCOO]- 339.06726 164.0
[M+CH3COO]- 353.08291 199.3
[M+Na-2H]- 315.04373 156.2
[M]+ 294.06851 147.9
[M]- 294.06961 147.9
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