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]+ 281.97603 150.9
[M+Na]+ 303.95797 164.1
[M-H]- 279.96147 159.0
[M+NH4]+ 299.00257 170.2
[M+K]+ 319.93191 153.9
[M+H-H2O]+ 263.96601 150.2
[M+HCOO]- 325.96695 171.3
[M+CH3COO]- 339.98260 198.8
[M+Na-2H]- 301.94342 158.0
[M]+ 280.96820 171.3
[M]- 280.96930 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.