CID 614309

6-bromo-3-formylchromone

Structural Information

Molecular Formula
C10H5BrO3
SMILES
C1=CC2=C(C=C1Br)C(=O)C(=CO2)C=O
InChI
InChI=1S/C10H5BrO3/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-5H
InChIKey
PCEZXSJBHMOQFT-UHFFFAOYSA-N
Compound name
6-bromo-4-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

119
Patents

251.94221 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.94949 140.2
[M+Na]+ 274.93143 154.4
[M-H]- 250.93493 148.9
[M+NH4]+ 269.97603 161.2
[M+K]+ 290.90537 144.7
[M+H-H2O]+ 234.93947 140.6
[M+HCOO]- 296.94041 161.8
[M+CH3COO]- 310.95606 189.8
[M+Na-2H]- 272.91688 150.6
[M]+ 251.94166 162.3
[M]- 251.94276 162.3
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.