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 146.4
[M+Na]+ 289.94234 159.2
[M-H]- 265.94584 154.4
[M+NH4]+ 284.98694 165.9
[M+K]+ 305.91628 149.1
[M+H-H2O]+ 249.95038 145.8
[M+HCOO]- 311.95132 167.2
[M+CH3COO]- 325.96697 194.8
[M+Na-2H]- 287.92779 154.7
[M]+ 266.95257 166.2
[M]- 266.95367 166.2
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