CID 2776061

147874-76-8

Structural Information

Molecular Formula
C10H2F16O2
SMILES
C(C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)C(F)(F)F
InChI
InChI=1S/C10H2F16O2/c11-4(12,2(27)1-3(28)5(13,14)15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1H2
InChIKey
ZFNFUONJWJUELL-UHFFFAOYSA-N
Compound name
1,1,1,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

457.97992 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.98720 160.8
[M+Na]+ 480.96914 168.5
[M-H]- 456.97264 168.9
[M+NH4]+ 476.01374 172.3
[M+K]+ 496.94308 174.8
[M+H-H2O]+ 440.97718 153.2
[M+HCOO]- 502.97812 178.8
[M+CH3COO]- 516.99377 230.1
[M+Na-2H]- 478.95459 161.4
[M]+ 457.97937 159.2
[M]- 457.98047 159.2
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.