CID 122398720

3-bromo-2,2-difluoro-1-(4-methoxyphenyl)propan-1-one

Structural Information

Molecular Formula
C10H9BrF2O2
SMILES
COC1=CC=C(C=C1)C(=O)C(CBr)(F)F
InChI
InChI=1S/C10H9BrF2O2/c1-15-8-4-2-7(3-5-8)9(14)10(12,13)6-11/h2-5H,6H2,1H3
InChIKey
ABMBHSXLUHOXQB-UHFFFAOYSA-N
Compound name
3-bromo-2,2-difluoro-1-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.9754 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.98268 152.7
[M+Na]+ 300.96462 164.2
[M-H]- 276.96812 156.6
[M+NH4]+ 296.00922 172.5
[M+K]+ 316.93856 153.3
[M+H-H2O]+ 260.97266 151.4
[M+HCOO]- 322.97360 170.5
[M+CH3COO]- 336.98925 194.9
[M+Na-2H]- 298.95007 158.6
[M]+ 277.97485 170.6
[M]- 277.97595 170.6
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.