CID 16211365

4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)benzyl alcohol

Structural Information

Molecular Formula
C15H11F13O
SMILES
C1=CC(=CC=C1CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CO
InChI
InChI=1S/C15H11F13O/c16-10(17,6-5-8-1-3-9(7-29)4-2-8)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h1-4,29H,5-7H2
InChIKey
ZLZILVFJEAYPNQ-UHFFFAOYSA-N
Compound name
[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

17
Patents

454.06024 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.06752 193.2
[M+Na]+ 477.04946 201.6
[M-H]- 453.05296 180.5
[M+NH4]+ 472.09406 200.7
[M+K]+ 493.02340 195.9
[M+H-H2O]+ 437.05750 178.1
[M+HCOO]- 499.05844 191.3
[M+CH3COO]- 513.07409 228.9
[M+Na-2H]- 475.03491 194.7
[M]+ 454.05969 173.9
[M]- 454.06079 173.9
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