CID 46176

63990-67-0

Structural Information

Molecular Formula
C8H6Br2O4
SMILES
CC(=O)C1=C(C(=C(C(=C1O)Br)O)Br)O
InChI
InChI=1S/C8H6Br2O4/c1-2(11)3-6(12)4(9)8(14)5(10)7(3)13/h12-14H,1H3
InChIKey
LBLJLTFUJGPYID-UHFFFAOYSA-N
Compound name
1-(3,5-dibromo-2,4,6-trihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.86328 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.870556 142.6
[M+Na]+ 346.852498 153.9
[M-H]- 322.856004 146.8
[M+NH4]+ 341.897103 159.5
[M+K]+ 362.826438 137.8
[M+H-H2O]+ 306.860540 150.1
[M+HCOO]- 368.861481 155.3
[M+CH3COO]- 382.877131 202.9
[M+Na-2H]- 344.837946 146.3
[M]+ 323.86273142 176.0
[M]- 323.86382858 176.0
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.