CID 5709626

109317-78-4

Structural Information

Molecular Formula
C8H11F3O2
SMILES
CCCCO/C=C/C(=O)C(F)(F)F
InChI
InChI=1S/C8H11F3O2/c1-2-3-5-13-6-4-7(12)8(9,10)11/h4,6H,2-3,5H2,1H3/b6-4+
InChIKey
JMCLSTURONLRIB-GQCTYLIASA-N
Compound name
(E)-4-butoxy-1,1,1-trifluorobut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

196.07112 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07840 138.9
[M+Na]+ 219.06034 146.3
[M-H]- 195.06384 135.1
[M+NH4]+ 214.10494 158.3
[M+K]+ 235.03428 144.9
[M+H-H2O]+ 179.06838 131.9
[M+HCOO]- 241.06932 157.2
[M+CH3COO]- 255.08497 183.4
[M+Na-2H]- 217.04579 142.7
[M]+ 196.07057 137.4
[M]- 196.07167 137.4
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.