CID 239973

2,3,4-tribromo-9-methoxy-7h-furo(3,2-g)chromen-7-one

Structural Information

Molecular Formula
C12H5Br3O4
SMILES
COC1=C2C(=C(C3=C1OC(=O)C=C3)Br)C(=C(O2)Br)Br
InChI
InChI=1S/C12H5Br3O4/c1-17-11-9-4(2-3-5(16)18-9)7(13)6-8(14)12(15)19-10(6)11/h2-3H,1H3
InChIKey
RRSIUDIGTOLRTG-UHFFFAOYSA-N
Compound name
2,3,4-tribromo-9-methoxyfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.7738 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.78108 154.7
[M+Na]+ 472.76302 164.4
[M-H]- 448.76652 162.6
[M+NH4]+ 467.80762 168.5
[M+K]+ 488.73696 152.8
[M+H-H2O]+ 432.77106 169.9
[M+HCOO]- 494.77200 164.8
[M+CH3COO]- 508.78765 166.4
[M+Na-2H]- 470.74847 160.4
[M]+ 449.77325 200.0
[M]- 449.77435 200.0
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.