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 148.8
[M+Na]+ 300.94015 161.6
[M-H]- 276.94365 154.1
[M+NH4]+ 295.98475 169.8
[M+K]+ 316.91409 148.6
[M+H-H2O]+ 260.94819 149.2
[M+HCOO]- 322.94913 163.7
[M+CH3COO]- 336.96478 195.6
[M+Na-2H]- 298.92560 152.8
[M]+ 277.95038 168.6
[M]- 277.95148 168.6
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

No patent data available for this compound.