CID 214643

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

266.95312 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.96040 143.6
[M+Na]+ 289.94234 147.9
[M+NH4]+ 284.98694 148.1
[M+K]+ 305.91628 148.8
[M-H]- 265.94584 145.7
[M+Na-2H]- 287.92779 146.6
[M]+ 266.95257 143.6
[M]- 266.95367 143.6
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

patents stripe