CID 99769831

1823567-21-0

Structural Information

Molecular Formula
C10H9BrF2O2
SMILES
C1=CC=C(C(=C1)C(=O)CBr)OCC(F)F
InChI
InChI=1S/C10H9BrF2O2/c11-5-8(14)7-3-1-2-4-9(7)15-6-10(12)13/h1-4,10H,5-6H2
InChIKey
ZKGUYPRXFLGXIR-UHFFFAOYSA-N
Compound name
2-bromo-1-[2-(2,2-difluoroethoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.9754 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.98268 152.6
[M+Na]+ 300.96462 163.3
[M-H]- 276.96812 156.2
[M+NH4]+ 296.00922 172.1
[M+K]+ 316.93856 152.4
[M+H-H2O]+ 260.97266 150.7
[M+HCOO]- 322.97360 170.9
[M+CH3COO]- 336.98925 195.4
[M+Na-2H]- 298.95007 156.6
[M]+ 277.97485 170.3
[M]- 277.97595 170.3
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.