CID 2776678

261760-03-6

Structural Information

Molecular Formula
C9H5F11O3
SMILES
CC(=O)CC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C9H5F11O3/c1-3(21)2-4(22)5(10,7(13,14)15)23-9(19,20)6(11,12)8(16,17)18/h2H2,1H3
InChIKey
WKZWQTGKGJHUHH-UHFFFAOYSA-N
Compound name
5,6,6,6-tetrafluoro-5-(1,1,2,2,3,3,3-heptafluoropropoxy)hexane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

370.00632 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.01360 164.8
[M+Na]+ 392.99554 173.5
[M-H]- 368.99904 152.5
[M+NH4]+ 388.04014 160.0
[M+K]+ 408.96948 171.7
[M+H-H2O]+ 353.00358 152.8
[M+HCOO]- 415.00452 168.7
[M+CH3COO]- 429.02017 214.3
[M+Na-2H]- 390.98099 166.9
[M]+ 370.00577 150.5
[M]- 370.00687 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe