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
1
Annotation Hits

2
References

112
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

literature stripe

Patent stripe

patents stripe