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

18
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

literature stripe

Patent stripe

patents stripe