CID 688710

6,8-dibromo-3-formylchromone

Structural Information

Molecular Formula
C10H4Br2O3
SMILES
C1=C(C=C(C2=C1C(=O)C(=CO2)C=O)Br)Br
InChI
InChI=1S/C10H4Br2O3/c11-6-1-7-9(14)5(3-13)4-15-10(7)8(12)2-6/h1-4H
InChIKey
XTEURQCXJDIUCR-UHFFFAOYSA-N
Compound name
6,8-dibromo-4-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

364
Patents

329.85272 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.859996 141.8
[M+Na]+ 352.841938 154.7
[M-H]- 328.845444 150.5
[M+NH4]+ 347.886543 160.1
[M+K]+ 368.815878 140.8
[M+H-H2O]+ 312.849980 150.1
[M+HCOO]- 374.850921 157.9
[M+CH3COO]- 388.866571 207.2
[M+Na-2H]- 350.827386 150.8
[M]+ 329.85217142 178.9
[M]- 329.85326858 178.9
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