CID 15176851

5dotfp

Structural Information

Molecular Formula
C15H19F3O2
SMILES
CCCCCC1COC(OC1)C2=CC(=C(C(=C2)F)F)F
InChI
InChI=1S/C15H19F3O2/c1-2-3-4-5-10-8-19-15(20-9-10)11-6-12(16)14(18)13(17)7-11/h6-7,10,15H,2-5,8-9H2,1H3
InChIKey
DDPLKWURMVSNFY-UHFFFAOYSA-N
Compound name
5-pentyl-2-(3,4,5-trifluorophenyl)-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

288.13373 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14101 166.8
[M+Na]+ 311.12295 174.1
[M-H]- 287.12645 170.4
[M+NH4]+ 306.16755 180.2
[M+K]+ 327.09689 172.2
[M+H-H2O]+ 271.13099 156.8
[M+HCOO]- 333.13193 181.8
[M+CH3COO]- 347.14758 203.1
[M+Na-2H]- 309.10840 168.1
[M]+ 288.13318 164.2
[M]- 288.13428 164.2
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