CID 16227957

94856-24-3

Structural Information

Molecular Formula
C11H6F6O2
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=O)CC(=O)C(F)(F)F
InChI
InChI=1S/C11H6F6O2/c12-10(13,14)7-3-1-2-6(4-7)8(18)5-9(19)11(15,16)17/h1-4H,5H2
InChIKey
YQKXBCGSOZNMMC-UHFFFAOYSA-N
Compound name
4,4,4-trifluoro-1-[3-(trifluoromethyl)phenyl]butane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

284.0272 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.03448 173.3
[M+Na]+ 307.01642 177.5
[M+NH4]+ 302.06102 174.6
[M+K]+ 322.99036 174.0
[M-H]- 283.01992 165.8
[M+Na-2H]- 305.00187 172.9
[M]+ 284.02665 171.3
[M]- 284.02775 171.3
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