CID 2782584

53580-21-5

Structural Information

Molecular Formula
C12H7F7O2
SMILES
C1=CC=C(C=C1)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H7F7O2/c13-10(14,11(15,16)12(17,18)19)9(21)6-8(20)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
HNYZQPXURIQQJV-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,6-heptafluoro-1-phenylhexane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

316.03342 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.04070 181.2
[M+Na]+ 339.02264 183.9
[M+NH4]+ 334.06724 181.5
[M+K]+ 354.99658 180.9
[M-H]- 315.02614 173.1
[M+Na-2H]- 337.00809 180.0
[M]+ 316.03287 178.9
[M]- 316.03397 178.9
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