CID 62395165

3-bromo-4-(4-chloro-2-fluorophenyl)butan-2-one

Structural Information

Molecular Formula
C10H9BrClFO
SMILES
CC(=O)C(CC1=C(C=C(C=C1)Cl)F)Br
InChI
InChI=1S/C10H9BrClFO/c1-6(14)9(11)4-7-2-3-8(12)5-10(7)13/h2-3,5,9H,4H2,1H3
InChIKey
YEJTTYZBANPNIU-UHFFFAOYSA-N
Compound name
3-bromo-4-(4-chloro-2-fluorophenyl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.95093 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.95821 149.5
[M+Na]+ 300.94015 153.2
[M+NH4]+ 295.98475 154.1
[M+K]+ 316.91409 152.6
[M-H]- 276.94365 148.9
[M+Na-2H]- 298.92560 152.3
[M]+ 277.95038 148.9
[M]- 277.95148 148.9
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

No patent data available for this compound.