CID 2752560

3-(tridecafluorohexyl)oxan-2-ol

Structural Information

Molecular Formula
C11H9F13O2
SMILES
C1CC(C(OC1)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H9F13O2/c12-6(13,4-2-1-3-26-5(4)25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4-5,25H,1-3H2
InChIKey
YEMOXYUOUXISBX-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.0395 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.04678 179.2
[M+Na]+ 443.02872 179.1
[M+NH4]+ 438.07332 178.3
[M+K]+ 459.00266 178.0
[M-H]- 419.03222 174.9
[M+Na-2H]- 441.01417 177.4
[M]+ 420.03895 177.8
[M]- 420.04005 177.8
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

No patent data available for this compound.