CID 43160007

1-(2,4-difluorophenyl)-3,3,3-trifluoropropan-1-one

Structural Information

Molecular Formula
C9H5F5O
SMILES
C1=CC(=C(C=C1F)F)C(=O)CC(F)(F)F
InChI
InChI=1S/C9H5F5O/c10-5-1-2-6(7(11)3-5)8(15)4-9(12,13)14/h1-3H,4H2
InChIKey
ZBOGRSSBMVUSIB-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-3,3,3-trifluoropropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02606 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03334 138.7
[M+Na]+ 247.01528 148.7
[M-H]- 223.01878 136.5
[M+NH4]+ 242.05988 157.1
[M+K]+ 262.98922 145.5
[M+H-H2O]+ 207.02332 129.3
[M+HCOO]- 269.02426 155.7
[M+CH3COO]- 283.03991 189.3
[M+Na-2H]- 245.00073 142.0
[M]+ 224.02551 132.7
[M]- 224.02661 132.7
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.