CID 217193

4h-1-benzopyran-2-carboxamide, 8-bromo-6-methyl-4-oxo-

Structural Information

Molecular Formula
C11H8BrNO3
SMILES
CC1=CC2=C(C(=C1)Br)OC(=CC2=O)C(=O)N
InChI
InChI=1S/C11H8BrNO3/c1-5-2-6-8(14)4-9(11(13)15)16-10(6)7(12)3-5/h2-4H,1H3,(H2,13,15)
InChIKey
DCLQLPFKFATDLC-UHFFFAOYSA-N
Compound name
8-bromo-6-methyl-4-oxochromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.96875 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.976026 150.9
[M+Na]+ 303.957968 164.1
[M-H]- 279.961474 159.0
[M+NH4]+ 299.002573 170.2
[M+K]+ 319.931908 153.9
[M+H-H2O]+ 263.966010 150.2
[M+HCOO]- 325.966951 171.3
[M+CH3COO]- 339.982601 198.8
[M+Na-2H]- 301.943416 158.0
[M]+ 280.96820142 171.3
[M]- 280.96929858 171.3
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.