CID 9834755

2-bromo-1-(4-fluoro-3-methoxyphenyl)ethanone

Structural Information

Molecular Formula
C9H8BrFO2
SMILES
COC1=C(C=CC(=C1)C(=O)CBr)F
InChI
InChI=1S/C9H8BrFO2/c1-13-9-4-6(8(12)5-10)2-3-7(9)11/h2-4H,5H2,1H3
InChIKey
LWUJSPVNTPCPSF-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-fluoro-3-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

245.96918 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.97646 144.8
[M+Na]+ 268.95840 147.8
[M+NH4]+ 264.00300 148.9
[M+K]+ 284.93234 147.8
[M-H]- 244.96190 143.9
[M+Na-2H]- 266.94385 147.5
[M]+ 245.96863 143.7
[M]- 245.96973 143.7
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

patents stripe