CID 379447

100482-86-8

Structural Information

Molecular Formula
C8H10F6O2
SMILES
CC(C)C(C=O)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C8H10F6O2/c1-4(2)5(3-15)6(16,7(9,10)11)8(12,13)14/h3-5,16H,1-2H3
InChIKey
OJZOHRDXAXKWNF-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-3-hydroxy-2-propan-2-yl-3-(trifluoromethyl)butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.0585 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.06578 146.2
[M+Na]+ 275.04772 153.7
[M-H]- 251.05122 137.8
[M+NH4]+ 270.09232 162.5
[M+K]+ 291.02166 152.2
[M+H-H2O]+ 235.05576 138.0
[M+HCOO]- 297.05670 155.6
[M+CH3COO]- 311.07235 192.2
[M+Na-2H]- 273.03317 148.5
[M]+ 252.05795 137.5
[M]- 252.05905 137.5
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

No patent data available for this compound.