CID 136239864

6-bromo-4-hydroxy-2-oxo-2h-chromene-3-carbaldehyde

Structural Information

Molecular Formula
C10H5BrO4
SMILES
C1=CC2=C(C=C1Br)C(=C(C(=O)O2)C=O)O
InChI
InChI=1S/C10H5BrO4/c11-5-1-2-8-6(3-5)9(13)7(4-12)10(14)15-8/h1-4,13H
InChIKey
QDZUGVPQHMKMBU-UHFFFAOYSA-N
Compound name
6-bromo-4-hydroxy-2-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

267.93713 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.944406 143.3
[M+Na]+ 290.926348 157.7
[M-H]- 266.929854 151.0
[M+NH4]+ 285.970953 163.2
[M+K]+ 306.900288 147.6
[M+H-H2O]+ 250.934390 143.6
[M+HCOO]- 312.935331 163.6
[M+CH3COO]- 326.950981 190.7
[M+Na-2H]- 288.911796 152.6
[M]+ 267.93658142 165.4
[M]- 267.93767858 165.4
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

patents stripe