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

84
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 142.5
[M+Na]+ 268.95840 154.7
[M-H]- 244.96190 147.9
[M+NH4]+ 264.00300 163.7
[M+K]+ 284.93234 144.2
[M+H-H2O]+ 228.96644 141.9
[M+HCOO]- 290.96738 163.1
[M+CH3COO]- 304.98303 190.3
[M+Na-2H]- 266.94385 148.4
[M]+ 245.96863 162.0
[M]- 245.96973 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