CID 71758649

2-bromo-1-(3,4-difluorophenyl)-2-methylpropan-1-one

Structural Information

Molecular Formula
C10H9BrF2O
SMILES
CC(C)(C(=O)C1=CC(=C(C=C1)F)F)Br
InChI
InChI=1S/C10H9BrF2O/c1-10(2,11)9(14)6-3-4-7(12)8(13)5-6/h3-5H,1-2H3
InChIKey
PNDHFLKTIRTTOK-UHFFFAOYSA-N
Compound name
2-bromo-1-(3,4-difluorophenyl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.98047 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.98775 148.8
[M+Na]+ 284.96969 161.2
[M-H]- 260.97319 153.0
[M+NH4]+ 280.01429 169.5
[M+K]+ 300.94363 149.8
[M+H-H2O]+ 244.97773 147.8
[M+HCOO]- 306.97867 166.3
[M+CH3COO]- 320.99432 194.2
[M+Na-2H]- 282.95514 154.0
[M]+ 261.97992 165.6
[M]- 261.98102 165.6
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.