CID 927514

52431-65-9

Structural Information

Molecular Formula
C10H5BrO3
SMILES
C1=CC2=C(C(=C1)O)C(=O)C(=CC2=O)Br
InChI
InChI=1S/C10H5BrO3/c11-6-4-8(13)5-2-1-3-7(12)9(5)10(6)14/h1-4,12H
InChIKey
QQUYEYJPZLCULC-UHFFFAOYSA-N
Compound name
2-bromo-8-hydroxynaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

251.94221 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.94949 141.2
[M+Na]+ 274.93143 154.7
[M-H]- 250.93493 147.9
[M+NH4]+ 269.97603 162.8
[M+K]+ 290.90537 143.3
[M+H-H2O]+ 234.93947 141.9
[M+HCOO]- 296.94041 160.8
[M+CH3COO]- 310.95606 188.8
[M+Na-2H]- 272.91688 148.8
[M]+ 251.94166 159.9
[M]- 251.94276 159.9
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.