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

25
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

No literature data available for this compound.

Patent stripe

patents stripe