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]+ 197.09723 140.7
[M+Na]+ 219.07917 147.2
[M-H]- 195.08267 145.2
[M+NH4]+ 214.12377 159.8
[M+K]+ 235.05311 145.7
[M+H-H2O]+ 179.08721 133.9
[M+HCOO]- 241.08815 158.9
[M+CH3COO]- 255.10380 178.8
[M+Na-2H]- 217.06462 147.6
[M]+ 196.08940 135.7
[M]- 196.09050 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.