CID 54532908

1-(2,6-dibromophenyl)ethanone

Structural Information

Molecular Formula
C8H6Br2O
SMILES
CC(=O)C1=C(C=CC=C1Br)Br
InChI
InChI=1S/C8H6Br2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3
InChIKey
OQWDNVTVMGJGSF-UHFFFAOYSA-N
Compound name
1-(2,6-dibromophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

275.87854 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.88582 141.3
[M+Na]+ 298.86776 137.0
[M+NH4]+ 293.91236 143.6
[M+K]+ 314.84170 143.4
[M-H]- 274.87126 142.2
[M+Na-2H]- 296.85321 143.4
[M]+ 275.87799 139.8
[M]- 275.87909 139.8
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

patents stripe