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 142.6
[M+Na]+ 326.89907 154.1
[M-H]- 302.90257 149.7
[M+NH4]+ 321.94367 162.0
[M+K]+ 342.87301 138.6
[M+H-H2O]+ 286.90711 150.7
[M+HCOO]- 348.90805 158.4
[M+CH3COO]- 362.92370 206.3
[M+Na-2H]- 324.88452 148.1
[M]+ 303.90930 177.5
[M]- 303.91040 177.5
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.