CID 2756995

1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanone

Structural Information

Molecular Formula
C14H10BrFO2
SMILES
CC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)F)Br
InChI
InChI=1S/C14H10BrFO2/c1-9(17)10-2-5-12(6-3-10)18-14-7-4-11(16)8-13(14)15/h2-8H,1H3
InChIKey
DYMTWGSDROBNOQ-UHFFFAOYSA-N
Compound name
1-[4-(2-bromo-4-fluorophenoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

307.98483 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.99211 159.6
[M+Na]+ 330.97405 171.6
[M-H]- 306.97755 168.0
[M+NH4]+ 326.01865 178.3
[M+K]+ 346.94799 160.0
[M+H-H2O]+ 290.98209 158.0
[M+HCOO]- 352.98303 180.0
[M+CH3COO]- 366.99868 201.4
[M+Na-2H]- 328.95950 164.5
[M]+ 307.98428 178.8
[M]- 307.98538 178.8
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

patents stripe