CID 207741

Brn 3993571

Structural Information

Molecular Formula
C15H15FO5
SMILES
C1C[C@@H]2C(C([C@H]1O2)C(=O)O)C(=O)OCC3=CC=C(C=C3)F
InChI
InChI=1S/C15H15FO5/c16-9-3-1-8(2-4-9)7-20-15(19)13-11-6-5-10(21-11)12(13)14(17)18/h1-4,10-13H,5-7H2,(H,17,18)/t10-,11+,12?,13?/m0/s1
InChIKey
XMXZJNFTOVRFDD-ZFDZMSFRSA-N
Compound name
(1S,4R)-3-[(4-fluorophenyl)methoxycarbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.09036 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09764 164.2
[M+Na]+ 317.07958 170.7
[M-H]- 293.08308 168.5
[M+NH4]+ 312.12418 182.5
[M+K]+ 333.05352 169.2
[M+H-H2O]+ 277.08762 158.9
[M+HCOO]- 339.08856 180.9
[M+CH3COO]- 353.10421 198.6
[M+Na-2H]- 315.06503 163.6
[M]+ 294.08981 165.1
[M]- 294.09091 165.1
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.