CID 222787

595-26-6

Structural Information

Molecular Formula
C10H5F7O3
SMILES
C1=COC(=C1)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F7O3/c11-8(12,9(13,14)10(15,16)17)7(19)4-5(18)6-2-1-3-20-6/h1-3H,4H2
InChIKey
ATAOWIQUJGHXOL-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,6-heptafluoro-1-(furan-2-yl)hexane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

306.0127 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.01998 154.1
[M+Na]+ 329.00192 162.5
[M-H]- 305.00542 149.7
[M+NH4]+ 324.04652 168.7
[M+K]+ 344.97586 161.3
[M+H-H2O]+ 289.00996 144.1
[M+HCOO]- 351.01090 165.0
[M+CH3COO]- 365.02655 200.7
[M+Na-2H]- 326.98737 157.2
[M]+ 306.01215 146.6
[M]- 306.01325 146.6
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