CID 214651

4h-1-benzopyran-2-carboxamide, 6,8-dibromo-4-oxo-

Structural Information

Molecular Formula
C10H5Br2NO3
SMILES
C1=C(C=C(C2=C1C(=O)C=C(O2)C(=O)N)Br)Br
InChI
InChI=1S/C10H5Br2NO3/c11-4-1-5-7(14)3-8(10(13)15)16-9(5)6(12)2-4/h1-3H,(H2,13,15)
InChIKey
YOZVSPLXSCHPEA-UHFFFAOYSA-N
Compound name
6,8-dibromo-4-oxochromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.86362 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.87090 148.9
[M+Na]+ 367.85284 160.2
[M-H]- 343.85634 156.7
[M+NH4]+ 362.89744 165.8
[M+K]+ 383.82678 145.8
[M+H-H2O]+ 327.86088 155.7
[M+HCOO]- 389.86182 164.0
[M+CH3COO]- 403.87747 211.3
[M+Na-2H]- 365.83829 155.7
[M]+ 344.86307 183.7
[M]- 344.86417 183.7
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

patents stripe