CID 14925320

Ethyl 8-amino-6-bromo-4-oxo-4h-chromene-2-carboxylate

Structural Information

Molecular Formula
C12H10BrNO4
SMILES
CCOC(=O)C1=CC(=O)C2=C(O1)C(=CC(=C2)Br)N
InChI
InChI=1S/C12H10BrNO4/c1-2-17-12(16)10-5-9(15)7-3-6(13)4-8(14)11(7)18-10/h3-5H,2,14H2,1H3
InChIKey
LLHNRAVVVZFEGE-UHFFFAOYSA-N
Compound name
ethyl 8-amino-6-bromo-4-oxochromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.9793 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.98658 155.9
[M+Na]+ 333.96852 159.6
[M+NH4]+ 329.01312 159.5
[M+K]+ 349.94246 160.7
[M-H]- 309.97202 157.4
[M+Na-2H]- 331.95397 157.6
[M]+ 310.97875 155.6
[M]- 310.97985 155.6
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.