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]+ 225.033336 138.7
[M+Na]+ 247.015278 148.7
[M-H]- 223.018784 136.5
[M+NH4]+ 242.059883 157.1
[M+K]+ 262.989218 145.5
[M+H-H2O]+ 207.023320 129.3
[M+HCOO]- 269.024261 155.7
[M+CH3COO]- 283.039911 189.3
[M+Na-2H]- 245.000726 142.0
[M]+ 224.02551142 132.7
[M]- 224.02660858 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.