CID 54532908

99419-76-8

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

7
Patents

275.87854 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.885816 135.2
[M+Na]+ 298.867758 146.8
[M-H]- 274.871264 142.4
[M+NH4]+ 293.912363 155.3
[M+K]+ 314.841698 131.7
[M+H-H2O]+ 258.875800 143.7
[M+HCOO]- 320.876741 151.6
[M+CH3COO]- 334.892391 200.9
[M+Na-2H]- 296.853206 142.2
[M]+ 275.87799142 169.4
[M]- 275.87908858 169.4
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