CID 163321475

Ethyl 2-(4-fluorophenyl)oxetane-2-carboxylate

Structural Information

Molecular Formula
C12H13FO3
SMILES
CCOC(=O)C1(CCO1)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H13FO3/c1-2-15-11(14)12(7-8-16-12)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3
InChIKey
NTZVPJWDMDIGPG-UHFFFAOYSA-N
Compound name
ethyl 2-(4-fluorophenyl)oxetane-2-carboxylate
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 144.2
[M+Na]+ 247.07409 150.6
[M-H]- 223.07759 150.3
[M+NH4]+ 242.11869 156.6
[M+K]+ 263.04803 153.3
[M+H-H2O]+ 207.08213 132.8
[M+HCOO]- 269.08307 164.0
[M+CH3COO]- 283.09872 190.4
[M+Na-2H]- 245.05954 150.1
[M]+ 224.08432 154.0
[M]- 224.08542 154.0
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.