CID 4464465

2-bromo-1-[4-(difluoromethoxy)phenyl]propan-1-one

Structural Information

Molecular Formula
C10H9BrF2O2
SMILES
CC(C(=O)C1=CC=C(C=C1)OC(F)F)Br
InChI
InChI=1S/C10H9BrF2O2/c1-6(11)9(14)7-2-4-8(5-3-7)15-10(12)13/h2-6,10H,1H3
InChIKey
HOLWNEDFOPNMTE-UHFFFAOYSA-N
Compound name
2-bromo-1-[4-(difluoromethoxy)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

277.9754 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.98268 154.0
[M+Na]+ 300.96462 155.1
[M+NH4]+ 296.00922 156.9
[M+K]+ 316.93856 155.9
[M-H]- 276.96812 151.2
[M+Na-2H]- 298.95007 155.2
[M]+ 277.97485 152.0
[M]- 277.97595 152.0
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