CID 4649129

6-bromo-4-chloro-3-formylcoumarin

Structural Information

Molecular Formula
C10H4BrClO3
SMILES
C1=CC2=C(C=C1Br)C(=C(C(=O)O2)C=O)Cl
InChI
InChI=1S/C10H4BrClO3/c11-5-1-2-8-6(3-5)9(12)7(4-13)10(14)15-8/h1-4H
InChIKey
IODFACUSJKQFGW-UHFFFAOYSA-N
Compound name
6-bromo-4-chloro-2-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

285.90323 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.91051 145.1
[M+Na]+ 308.89245 161.2
[M-H]- 284.89595 154.1
[M+NH4]+ 303.93705 166.0
[M+K]+ 324.86639 149.7
[M+H-H2O]+ 268.90049 146.5
[M+HCOO]- 330.90143 162.4
[M+CH3COO]- 344.91708 194.5
[M+Na-2H]- 306.87790 154.6
[M]+ 285.90268 169.6
[M]- 285.90378 169.6
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