CID 81322217

Ethyl 2-(3-bromo-5-fluorophenoxy)acetate

Structural Information

Molecular Formula
C10H10BrFO3
SMILES
CCOC(=O)COC1=CC(=CC(=C1)Br)F
InChI
InChI=1S/C10H10BrFO3/c1-2-14-10(13)6-15-9-4-7(11)3-8(12)5-9/h3-5H,2,6H2,1H3
InChIKey
KBDFIQLFFDIVIV-UHFFFAOYSA-N
Compound name
ethyl 2-(3-bromo-5-fluorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.97974 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.98702 150.0
[M+Na]+ 298.96896 161.8
[M-H]- 274.97246 155.3
[M+NH4]+ 294.01356 170.1
[M+K]+ 314.94290 151.5
[M+H-H2O]+ 258.97700 149.0
[M+HCOO]- 320.97794 170.5
[M+CH3COO]- 334.99359 194.4
[M+Na-2H]- 296.95441 155.4
[M]+ 275.97919 171.1
[M]- 275.98029 171.1
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.