CID 71757934

1-bromo-1,1-difluoro-3-phenylpropan-2-one

Structural Information

Molecular Formula
C9H7BrF2O
SMILES
C1=CC=C(C=C1)CC(=O)C(F)(F)Br
InChI
InChI=1S/C9H7BrF2O/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
NPXQURIDBHHQMW-UHFFFAOYSA-N
Compound name
1-bromo-1,1-difluoro-3-phenylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.96483 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.972106 146.0
[M+Na]+ 270.954048 157.1
[M-H]- 246.957554 149.7
[M+NH4]+ 265.998653 166.7
[M+K]+ 286.927988 145.9
[M+H-H2O]+ 230.962090 144.9
[M+HCOO]- 292.963031 163.9
[M+CH3COO]- 306.978681 189.2
[M+Na-2H]- 268.939496 153.0
[M]+ 247.96428142 161.8
[M]- 247.96537858 161.8
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.