CID 54593329

1-(2-bromo-4-fluorophenyl)propan-2-one

Structural Information

Molecular Formula
C9H8BrFO
SMILES
CC(=O)CC1=C(C=C(C=C1)F)Br
InChI
InChI=1S/C9H8BrFO/c1-6(12)4-7-2-3-8(11)5-9(7)10/h2-3,5H,4H2,1H3
InChIKey
NOUVOMJCKOALKS-UHFFFAOYSA-N
Compound name
1-(2-bromo-4-fluorophenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

229.97426 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.98154 141.4
[M+Na]+ 252.96348 144.9
[M+NH4]+ 248.00808 146.1
[M+K]+ 268.93742 144.5
[M-H]- 228.96698 141.0
[M+Na-2H]- 250.94893 144.6
[M]+ 229.97371 140.6
[M]- 229.97481 140.6
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