CID 82046408

8-amino-6-bromo-3,4-dihydro-2h-1-benzopyran-4-one

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
C1COC2=C(C1=O)C=C(C=C2N)Br
InChI
InChI=1S/C9H8BrNO2/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5/h3-4H,1-2,11H2
InChIKey
WCCMGVABNMHZBT-UHFFFAOYSA-N
Compound name
8-amino-6-bromo-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.97385 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.98113 143.1
[M+Na]+ 263.96307 154.7
[M-H]- 239.96657 150.5
[M+NH4]+ 259.00767 163.7
[M+K]+ 279.93701 144.6
[M+H-H2O]+ 223.97111 142.9
[M+HCOO]- 285.97205 162.1
[M+CH3COO]- 299.98770 190.4
[M+Na-2H]- 261.94852 151.2
[M]+ 240.97330 159.8
[M]- 240.97440 159.8
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.