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]+ 267.960396 146.4
[M+Na]+ 289.942338 159.2
[M-H]- 265.945844 154.4
[M+NH4]+ 284.986943 165.9
[M+K]+ 305.916278 149.1
[M+H-H2O]+ 249.950380 145.8
[M+HCOO]- 311.951321 167.2
[M+CH3COO]- 325.966971 194.8
[M+Na-2H]- 287.927786 154.7
[M]+ 266.95257142 166.2
[M]- 266.95366858 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