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
2
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 181.5
[M+Na]+ 443.02872 188.8
[M-H]- 419.03222 169.0
[M+NH4]+ 438.07332 188.9
[M+K]+ 459.00266 186.0
[M+H-H2O]+ 403.03676 167.6
[M+HCOO]- 465.03770 176.6
[M+CH3COO]- 479.05335 221.1
[M+Na-2H]- 441.01417 184.1
[M]+ 420.03895 158.8
[M]- 420.04005 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

No patent data available for this compound.