CID 16211129

4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)benzyl alcohol

Structural Information

Molecular Formula
C13H11F9O
SMILES
C1=CC(=CC=C1CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CO
InChI
InChI=1S/C13H11F9O/c14-10(15,11(16,17)12(18,19)13(20,21)22)6-5-8-1-3-9(7-23)4-2-8/h1-4,23H,5-7H2
InChIKey
RCEZZFWALYXONB-UHFFFAOYSA-N
Compound name
[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

17
Patents

354.06662 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.07390 171.7
[M+Na]+ 377.05584 180.0
[M-H]- 353.05934 162.8
[M+NH4]+ 372.10044 183.6
[M+K]+ 393.02978 174.9
[M+H-H2O]+ 337.06388 159.2
[M+HCOO]- 399.06482 177.4
[M+CH3COO]- 413.08047 210.9
[M+Na-2H]- 375.04129 174.3
[M]+ 354.06607 158.8
[M]- 354.06717 158.8
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