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]+ 239.107796 152.2
[M+Na]+ 261.089738 157.7
[M-H]- 237.093244 156.3
[M+NH4]+ 256.134343 169.2
[M+K]+ 277.063678 156.2
[M+H-H2O]+ 221.097780 144.9
[M+HCOO]- 283.098721 169.0
[M+CH3COO]- 297.114371 187.0
[M+Na-2H]- 259.075186 156.8
[M]+ 238.09997142 148.0
[M]- 238.10106858 148.0
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.