CID 136576325

2-[(4-fluorophenyl)methyl]oxolane-2-carboxylic acid

Structural Information

Molecular Formula
C12H13FO3
SMILES
C1CC(OC1)(CC2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C12H13FO3/c13-10-4-2-9(3-5-10)8-12(11(14)15)6-1-7-16-12/h2-5H,1,6-8H2,(H,14,15)
InChIKey
ZBTBLCIDBRXSDZ-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.08487 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.09215 147.1
[M+Na]+ 247.07409 154.0
[M-H]- 223.07759 151.8
[M+NH4]+ 242.11869 166.7
[M+K]+ 263.04803 152.4
[M+H-H2O]+ 207.08213 140.9
[M+HCOO]- 269.08307 166.5
[M+CH3COO]- 283.09872 183.5
[M+Na-2H]- 245.05954 151.0
[M]+ 224.08432 144.8
[M]- 224.08542 144.8
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.