CID 131463780

1-(4-bromo-2-ethoxy-6-fluorophenyl)ethan-1-one

Structural Information

Molecular Formula
C10H10BrFO2
SMILES
CCOC1=C(C(=CC(=C1)Br)F)C(=O)C
InChI
InChI=1S/C10H10BrFO2/c1-3-14-9-5-7(11)4-8(12)10(9)6(2)13/h4-5H,3H2,1-2H3
InChIKey
BFIAVGGIJACPOP-UHFFFAOYSA-N
Compound name
1-(4-bromo-2-ethoxy-6-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

259.98483 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.99211 146.2
[M+Na]+ 282.97405 158.9
[M-H]- 258.97755 151.8
[M+NH4]+ 278.01865 167.2
[M+K]+ 298.94799 148.1
[M+H-H2O]+ 242.98209 145.6
[M+HCOO]- 304.98303 166.4
[M+CH3COO]- 318.99868 194.2
[M+Na-2H]- 280.95950 151.0
[M]+ 259.98428 166.4
[M]- 259.98538 166.4
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