CID 79357674

Ethyl 2-(3-bromophenoxy)-2-fluoroacetate

Structural Information

Molecular Formula
C10H10BrFO3
SMILES
CCOC(=O)C(OC1=CC(=CC=C1)Br)F
InChI
InChI=1S/C10H10BrFO3/c1-2-14-10(13)9(12)15-8-5-3-4-7(11)6-8/h3-6,9H,2H2,1H3
InChIKey
YWPCFTFNLKFTFI-UHFFFAOYSA-N
Compound name
ethyl 2-(3-bromophenoxy)-2-fluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.97974 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.98702 151.4
[M+Na]+ 298.96896 162.0
[M-H]- 274.97246 156.3
[M+NH4]+ 294.01356 171.1
[M+K]+ 314.94290 152.1
[M+H-H2O]+ 258.97700 150.2
[M+HCOO]- 320.97794 170.9
[M+CH3COO]- 334.99359 194.1
[M+Na-2H]- 296.95441 156.1
[M]+ 275.97919 171.5
[M]- 275.98029 171.5
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.