CID 44630454

4,4,5,5,6,6,7,7,8,8,8-undecafluoro-3-octanone

Structural Information

Molecular Formula
C8H5F11O
SMILES
CCC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H5F11O/c1-2-3(20)4(9,10)5(11,12)6(13,14)7(15,16)8(17,18)19/h2H2,1H3
InChIKey
VHTNJYGNFUMJTN-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,8-undecafluorooctan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

326.01648 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.02376 157.7
[M+Na]+ 349.00570 166.8
[M-H]- 325.00920 145.5
[M+NH4]+ 344.05030 171.0
[M+K]+ 364.97964 164.2
[M+H-H2O]+ 309.01374 145.8
[M+HCOO]- 371.01468 160.9
[M+CH3COO]- 385.03033 208.8
[M+Na-2H]- 346.99115 160.5
[M]+ 326.01593 141.5
[M]- 326.01703 141.5
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