CID 2756898

6-bromochromone-3-carboxylic acid

Structural Information

Molecular Formula
C10H5BrO4
SMILES
C1=CC2=C(C=C1Br)C(=O)C(=CO2)C(=O)O
InChI
InChI=1S/C10H5BrO4/c11-5-1-2-8-6(3-5)9(12)7(4-15-8)10(13)14/h1-4H,(H,13,14)
InChIKey
IJTWNMVKNJSGMS-UHFFFAOYSA-N
Compound name
6-bromo-4-oxochromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

267.93713 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.94441 142.0
[M+Na]+ 290.92635 146.7
[M+NH4]+ 285.97095 146.3
[M+K]+ 306.90029 147.9
[M-H]- 266.92985 143.1
[M+Na-2H]- 288.91180 144.8
[M]+ 267.93658 141.8
[M]- 267.93768 141.8
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