CID 2446591

2-bromo-1-[2-(difluoromethoxy)-5-methylphenyl]ethan-1-one

Structural Information

Molecular Formula
C10H9BrF2O2
SMILES
CC1=CC(=C(C=C1)OC(F)F)C(=O)CBr
InChI
InChI=1S/C10H9BrF2O2/c1-6-2-3-9(15-10(12)13)7(4-6)8(14)5-11/h2-4,10H,5H2,1H3
InChIKey
WQVJYMNHZDVRFV-UHFFFAOYSA-N
Compound name
2-bromo-1-[2-(difluoromethoxy)-5-methylphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 151.6
[M+Na]+ 300.96462 163.2
[M-H]- 276.96812 155.6
[M+NH4]+ 296.00922 171.4
[M+K]+ 316.93856 152.4
[M+H-H2O]+ 260.97266 149.9
[M+HCOO]- 322.97360 169.9
[M+CH3COO]- 336.98925 196.5
[M+Na-2H]- 298.95007 155.0
[M]+ 277.97485 169.7
[M]- 277.97595 169.7
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