CID 4456432

3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
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 169.6
[M+Na]+ 436.99932 169.6
[M+NH4]+ 432.04392 169.0
[M+K]+ 452.97326 169.2
[M-H]- 413.00282 166.8
[M+Na-2H]- 434.98477 168.9
[M]+ 414.00955 168.7
[M]- 414.01065 168.7
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