CID 2434796

6-bromo-8-(chloromethyl)-4-oxo-4h-chromene-3-carbaldehyde

Structural Information

Molecular Formula
C11H6BrClO3
SMILES
C1=C(C=C2C(=C1CCl)OC=C(C2=O)C=O)Br
InChI
InChI=1S/C11H6BrClO3/c12-8-1-6(3-13)11-9(2-8)10(15)7(4-14)5-16-11/h1-2,4-5H,3H2
InChIKey
XVSISUCIGCDZAT-UHFFFAOYSA-N
Compound name
6-bromo-8-(chloromethyl)-4-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.91888 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.92616 150.0
[M+Na]+ 322.90810 165.6
[M-H]- 298.91160 158.7
[M+NH4]+ 317.95270 170.4
[M+K]+ 338.88204 153.8
[M+H-H2O]+ 282.91614 151.1
[M+HCOO]- 344.91708 166.9
[M+CH3COO]- 358.93273 197.3
[M+Na-2H]- 320.89355 158.9
[M]+ 299.91833 174.8
[M]- 299.91943 174.8
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.