CID 101874591

2-(tridecafluorohexyl)-5,6-dihydro-2h-pyran-2-ol

Structural Information

Molecular Formula
C11H7F13O2
SMILES
C1COC(C=C1)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C11H7F13O2/c12-6(13,5(25)3-1-2-4-26-5)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1,3,25H,2,4H2
InChIKey
DPCIODUZKZAIGF-UHFFFAOYSA-N
Compound name
6-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2,3-dihydropyran-6-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

418.02383 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.03111 179.8
[M+Na]+ 441.01305 188.0
[M-H]- 417.01655 167.5
[M+NH4]+ 436.05765 188.9
[M+K]+ 456.98699 185.5
[M+H-H2O]+ 401.02109 166.6
[M+HCOO]- 463.02203 176.1
[M+CH3COO]- 477.03768 219.2
[M+Na-2H]- 438.99850 185.1
[M]+ 418.02328 158.4
[M]- 418.02438 158.4
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.