CID 15232681

8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol

Structural Information

Molecular Formula
C14H17FO3
SMILES
C1CC2(CCC1(C3=CC=C(C=C3)F)O)OCCO2
InChI
InChI=1S/C14H17FO3/c15-12-3-1-11(2-4-12)13(16)5-7-14(8-6-13)17-9-10-18-14/h1-4,16H,5-10H2
InChIKey
BBKOAONWYJVESW-UHFFFAOYSA-N
Compound name
8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

252.11617 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12345 155.0
[M+Na]+ 275.10539 161.3
[M-H]- 251.10889 162.1
[M+NH4]+ 270.14999 174.3
[M+K]+ 291.07933 160.3
[M+H-H2O]+ 235.11343 148.3
[M+HCOO]- 297.11437 170.6
[M+CH3COO]- 311.13002 166.7
[M+Na-2H]- 273.09084 160.4
[M]+ 252.11562 149.8
[M]- 252.11672 149.8
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