CID 71333643

6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-en-3-one

Structural Information

Molecular Formula
C11H11F9O
SMILES
CC(C)(C)C(=O)C=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H11F9O/c1-7(2,3)6(21)4-5-8(12,13)9(14,15)10(16,17)11(18,19)20/h4-5H,1-3H3
InChIKey
FDLCNAFIXQUBBQ-UHFFFAOYSA-N
Compound name
6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

330.06662 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.07390 162.8
[M+Na]+ 353.05584 171.1
[M-H]- 329.05934 152.5
[M+NH4]+ 348.10044 176.4
[M+K]+ 369.02978 168.1
[M+H-H2O]+ 313.06388 152.4
[M+HCOO]- 375.06482 167.4
[M+CH3COO]- 389.08047 209.2
[M+Na-2H]- 351.04129 165.6
[M]+ 330.06607 149.9
[M]- 330.06717 149.9
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

No patent data available for this compound.