CID 62905074

1380300-55-9

Structural Information

Molecular Formula
C13H15FO3
SMILES
C1COCCC1(CC2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C13H15FO3/c14-11-3-1-10(2-4-11)9-13(12(15)16)5-7-17-8-6-13/h1-4H,5-9H2,(H,15,16)
InChIKey
CPOLLHRJRHXYKR-UHFFFAOYSA-N
Compound name
4-[(4-fluorophenyl)methyl]oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.10052 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10780 154.7
[M+Na]+ 261.08974 165.7
[M+NH4]+ 256.13434 163.3
[M+K]+ 277.06368 158.1
[M-H]- 237.09324 157.5
[M+Na-2H]- 259.07519 161.4
[M]+ 238.09997 157.0
[M]- 238.10107 157.0
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.