CID 37963834

7-bromo-1,3-dihydroxy-9h-xanthen-9-one

Structural Information

Molecular Formula
C13H7BrO4
SMILES
C1=CC2=C(C=C1Br)C(=O)C3=C(C=C(C=C3O2)O)O
InChI
InChI=1S/C13H7BrO4/c14-6-1-2-10-8(3-6)13(17)12-9(16)4-7(15)5-11(12)18-10/h1-5,15-16H
InChIKey
UELZRCNDZXKHEF-UHFFFAOYSA-N
Compound name
7-bromo-1,3-dihydroxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

305.95276 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.96004 155.5
[M+Na]+ 328.94198 170.4
[M-H]- 304.94548 163.1
[M+NH4]+ 323.98658 174.2
[M+K]+ 344.91592 159.7
[M+H-H2O]+ 288.95002 155.4
[M+HCOO]- 350.95096 174.0
[M+CH3COO]- 364.96661 170.6
[M+Na-2H]- 326.92743 165.4
[M]+ 305.95221 177.9
[M]- 305.95331 177.9
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