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]+ 248.97211 146.0
[M+Na]+ 270.95405 157.1
[M-H]- 246.95755 149.7
[M+NH4]+ 265.99865 166.7
[M+K]+ 286.92799 145.9
[M+H-H2O]+ 230.96209 144.9
[M+HCOO]- 292.96303 163.9
[M+CH3COO]- 306.97868 189.2
[M+Na-2H]- 268.93950 153.0
[M]+ 247.96428 161.8
[M]- 247.96538 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.