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

348
Patents

329.85272 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.86000 141.8
[M+Na]+ 352.84194 154.7
[M-H]- 328.84544 150.5
[M+NH4]+ 347.88654 160.1
[M+K]+ 368.81588 140.8
[M+H-H2O]+ 312.84998 150.1
[M+HCOO]- 374.85092 157.9
[M+CH3COO]- 388.86657 207.2
[M+Na-2H]- 350.82739 150.8
[M]+ 329.85217 178.9
[M]- 329.85327 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.