CID 2782436

297730-93-9

Structural Information

Molecular Formula
C9H5F15O
SMILES
CCOC(C(C(F)(F)F)(C(F)(F)F)F)(C(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C9H5F15O/c1-2-25-6(15,3(10,7(16,17)18)8(19,20)21)4(11,12)5(13,14)9(22,23)24/h2H2,1H3
InChIKey
HHBBIOLEJRWIGU-UHFFFAOYSA-N
Compound name
4-ethoxy-1,1,1,2,2,3,3,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

1738
Patents

414.0101 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.01738 179.6
[M+Na]+ 436.99932 189.1
[M-H]- 413.00282 164.4
[M+NH4]+ 432.04392 162.1
[M+K]+ 452.97326 186.1
[M+H-H2O]+ 397.00736 165.2
[M+HCOO]- 459.00830 176.2
[M+CH3COO]- 473.02395 223.4
[M+Na-2H]- 434.98477 182.6
[M]+ 414.00955 157.5
[M]- 414.01065 157.5
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