CID 13081654

24015-83-6

Structural Information

Molecular Formula
C9H5F15O
SMILES
CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C9H5F15O/c1-2(25)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h2,25H,1H3
InChIKey
LWKNIRKCYPKSGM-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

30
Patents

414.0101 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.01738 176.6
[M+Na]+ 436.99932 185.3
[M-H]- 413.00282 159.7
[M+NH4]+ 432.04392 161.7
[M+K]+ 452.97326 182.1
[M+H-H2O]+ 397.00736 162.7
[M+HCOO]- 459.00830 172.7
[M+CH3COO]- 473.02395 222.8
[M+Na-2H]- 434.98477 178.4
[M]+ 414.00955 153.3
[M]- 414.01065 153.3
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