CID 2776232

20015-46-7

Structural Information

Molecular Formula
C9H5F15O
SMILES
C(CO)C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H5F15O/c10-3(11,1-2-25)5(13,14)7(17,18)6(15,16)4(12,8(19,20)21)9(22,23)24/h25H,1-2H2
InChIKey
WVZPXINSJOBSTI-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

58
Patents

414.0101 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.01738 179.1
[M+Na]+ 436.99932 188.0
[M-H]- 413.00282 162.4
[M+NH4]+ 432.04392 158.5
[M+K]+ 452.97326 184.3
[M+H-H2O]+ 397.00736 164.9
[M+HCOO]- 459.00830 173.1
[M+CH3COO]- 473.02395 221.6
[M+Na-2H]- 434.98477 181.7
[M]+ 414.00955 155.3
[M]- 414.01065 155.3
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