CID 20403

2-fluoroethyl (2-naphthyloxy)acetate

Structural Information

Molecular Formula
C14H13FO3
SMILES
C1=CC=C2C=C(C=CC2=C1)OCC(=O)OCCF
InChI
InChI=1S/C14H13FO3/c15-7-8-17-14(16)10-18-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9H,7-8,10H2
InChIKey
DMMAFNBTYZUBLN-UHFFFAOYSA-N
Compound name
2-fluoroethyl 2-naphthalen-2-yloxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.08487 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.09215 152.9
[M+Na]+ 271.07409 160.5
[M-H]- 247.07759 155.8
[M+NH4]+ 266.11869 171.1
[M+K]+ 287.04803 157.6
[M+H-H2O]+ 231.08213 145.1
[M+HCOO]- 293.08307 174.5
[M+CH3COO]- 307.09872 193.0
[M+Na-2H]- 269.05954 159.1
[M]+ 248.08432 155.5
[M]- 248.08542 155.5
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.