CID 735926

2-amino-6-bromo-3-formylchromone

Structural Information

Molecular Formula
C10H6BrNO3
SMILES
C1=CC2=C(C=C1Br)C(=O)C(=C(O2)N)C=O
InChI
InChI=1S/C10H6BrNO3/c11-5-1-2-8-6(3-5)9(14)7(4-13)10(12)15-8/h1-4H,12H2
InChIKey
AUIUQJYBTPKQGS-UHFFFAOYSA-N
Compound name
2-amino-6-bromo-4-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

266.95312 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.96040 144.6
[M+Na]+ 289.94234 149.5
[M+NH4]+ 284.98694 149.2
[M+K]+ 305.91628 149.8
[M-H]- 265.94584 146.9
[M+Na-2H]- 287.92779 147.7
[M]+ 266.95257 144.8
[M]- 266.95367 144.8
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