CID 71509211

6-bromo-8-ethoxy-3-nitro-2h-chromene

Structural Information

Molecular Formula
C11H10BrNO4
SMILES
CCOC1=CC(=CC2=C1OCC(=C2)[N+](=O)[O-])Br
InChI
InChI=1S/C11H10BrNO4/c1-2-16-10-5-8(12)3-7-4-9(13(14)15)6-17-11(7)10/h3-5H,2,6H2,1H3
InChIKey
DFCFVVZGBVDDII-UHFFFAOYSA-N
Compound name
6-bromo-8-ethoxy-3-nitro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

298.9793 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.986576 158.5
[M+Na]+ 321.968518 169.1
[M-H]- 297.972024 166.3
[M+NH4]+ 317.013123 176.5
[M+K]+ 337.942458 156.1
[M+H-H2O]+ 281.976560 161.9
[M+HCOO]- 343.977501 178.7
[M+CH3COO]- 357.993151 194.0
[M+Na-2H]- 319.953966 168.0
[M]+ 298.97875142 179.0
[M]- 298.97984858 179.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe