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

2
Patents

267.93713 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.94441 143.3
[M+Na]+ 290.92635 157.7
[M-H]- 266.92985 151.0
[M+NH4]+ 285.97095 163.2
[M+K]+ 306.90029 147.6
[M+H-H2O]+ 250.93439 143.6
[M+HCOO]- 312.93533 163.6
[M+CH3COO]- 326.95098 190.7
[M+Na-2H]- 288.91180 152.6
[M]+ 267.93658 165.4
[M]- 267.93768 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