CID 2756985

343-04-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

245.96918 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.976456 142.5
[M+Na]+ 268.958398 154.7
[M-H]- 244.961904 147.9
[M+NH4]+ 264.003003 163.7
[M+K]+ 284.932338 144.2
[M+H-H2O]+ 228.966440 141.9
[M+HCOO]- 290.967381 163.1
[M+CH3COO]- 304.983031 190.3
[M+Na-2H]- 266.943846 148.4
[M]+ 245.96863142 162.0
[M]- 245.96972858 162.0
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