CID 17749941

850349-28-9

Structural Information

Molecular Formula
C10H9BrF2O3
SMILES
CCOC(=O)C(OC1=CC(=CC=C1)Br)(F)F
InChI
InChI=1S/C10H9BrF2O3/c1-2-15-9(14)10(12,13)16-8-5-3-4-7(11)6-8/h3-6H,2H2,1H3
InChIKey
OYUUSOPGUZLOTL-UHFFFAOYSA-N
Compound name
ethyl 2-(3-bromophenoxy)-2,2-difluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.9703 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.97758 155.6
[M+Na]+ 316.95952 166.9
[M-H]- 292.96302 159.4
[M+NH4]+ 312.00412 174.7
[M+K]+ 332.93346 156.5
[M+H-H2O]+ 276.96756 154.0
[M+HCOO]- 338.96850 173.5
[M+CH3COO]- 352.98415 196.2
[M+Na-2H]- 314.94497 161.5
[M]+ 293.96975 174.7
[M]- 293.97085 174.7
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.