CID 3787958

19701-19-0

Structural Information

Molecular Formula
C5H4F6O
SMILES
C=CC(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C5H4F6O/c1-2-3(12,4(6,7)8)5(9,10)11/h2,12H,1H2
InChIKey
VUSMHPJJFLCUOR-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

194.01663 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02391 131.1
[M+Na]+ 217.00585 140.2
[M-H]- 193.00935 123.0
[M+NH4]+ 212.05045 149.7
[M+K]+ 232.97979 138.0
[M+H-H2O]+ 177.01389 123.3
[M+HCOO]- 239.01483 143.0
[M+CH3COO]- 253.03048 179.7
[M+Na-2H]- 214.99130 136.9
[M]+ 194.01608 121.1
[M]- 194.01718 121.1
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