CID 63220451

4-(4-fluorophenyl)oxan-4-ol

Structural Information

Molecular Formula
C11H13FO2
SMILES
C1COCCC1(C2=CC=C(C=C2)F)O
InChI
InChI=1S/C11H13FO2/c12-10-3-1-9(2-4-10)11(13)5-7-14-8-6-11/h1-4,13H,5-8H2
InChIKey
TWJKAYDWODALSN-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.08995 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.097226 140.7
[M+Na]+ 219.079168 147.2
[M-H]- 195.082674 145.2
[M+NH4]+ 214.123773 159.8
[M+K]+ 235.053108 145.7
[M+H-H2O]+ 179.087210 133.9
[M+HCOO]- 241.088151 158.9
[M+CH3COO]- 255.103801 178.8
[M+Na-2H]- 217.064616 147.6
[M]+ 196.08940142 135.7
[M]- 196.09049858 135.7
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.