CID 130153706

1823420-53-6

Structural Information

Molecular Formula
C10H10Br2O
SMILES
CC1=CC(=CC(=C1Br)C)C(=O)CBr
InChI
InChI=1S/C10H10Br2O/c1-6-3-8(9(13)5-11)4-7(2)10(6)12/h3-4H,5H2,1-2H3
InChIKey
AJIKWDMSHSXCND-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-bromo-3,5-dimethylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.90985 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.91713 147.6
[M+Na]+ 326.89907 143.3
[M+NH4]+ 321.94367 149.7
[M+K]+ 342.87301 149.5
[M-H]- 302.90257 148.5
[M+Na-2H]- 324.88452 149.2
[M]+ 303.90930 146.2
[M]- 303.91040 146.2
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.