CID 688867

6-bromochromone-2-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

70
Patents

267.93713 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe