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

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 135.2
[M+Na]+ 298.86776 146.8
[M-H]- 274.87126 142.4
[M+NH4]+ 293.91236 155.3
[M+K]+ 314.84170 131.7
[M+H-H2O]+ 258.87580 143.7
[M+HCOO]- 320.87674 151.6
[M+CH3COO]- 334.89239 200.9
[M+Na-2H]- 296.85321 142.2
[M]+ 275.87799 169.4
[M]- 275.87909 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