CID 54690690

6087-64-5

Structural Information

Molecular Formula
C10H5BrO5
SMILES
C1=CC2=C(C=C1Br)C(=C(C(=O)O2)C(=O)O)O
InChI
InChI=1S/C10H5BrO5/c11-4-1-2-6-5(3-4)8(12)7(9(13)14)10(15)16-6/h1-3,12H,(H,13,14)
InChIKey
DITILQJVMZCSFN-UHFFFAOYSA-N
Compound name
6-bromo-4-hydroxy-2-oxochromene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.93204 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.93932 147.1
[M+Na]+ 306.92126 160.3
[M-H]- 282.92476 153.3
[M+NH4]+ 301.96586 165.3
[M+K]+ 322.89520 150.5
[M+H-H2O]+ 266.92930 147.2
[M+HCOO]- 328.93024 165.0
[M+CH3COO]- 342.94589 191.5
[M+Na-2H]- 304.90671 154.7
[M]+ 283.93149 168.1
[M]- 283.93259 168.1
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

No patent data available for this compound.