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]+ 324.87056 142.6
[M+Na]+ 346.85250 153.9
[M-H]- 322.85600 146.8
[M+NH4]+ 341.89710 159.5
[M+K]+ 362.82644 137.8
[M+H-H2O]+ 306.86054 150.1
[M+HCOO]- 368.86148 155.3
[M+CH3COO]- 382.87713 202.9
[M+Na-2H]- 344.83795 146.3
[M]+ 323.86273 176.0
[M]- 323.86383 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.