CID 13878521

1545-59-1

Structural Information

Molecular Formula
C13H5F23O
SMILES
C(CO)C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H5F23O/c14-3(15,1-2-37)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)36/h37H,1-2H2
InChIKey
IGLKFKBLLGNRCU-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-tricosafluorotridecan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

613.9973 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.00458 152.7
[M+Na]+ 636.98652 152.7
[M+NH4]+ 632.03112 152.7
[M+K]+ 652.96046 152.7
[M-H]- 612.99002 152.7
[M+Na-2H]- 634.97197 163.8
[M]+ 613.99675 152.7
[M]- 613.99785 152.7
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