CID 617688

52130-34-4

Structural Information

Molecular Formula
C11H6Cl2O2
SMILES
C1=CC(=C(C=C1C2=CC=C(O2)C=O)Cl)Cl
InChI
InChI=1S/C11H6Cl2O2/c12-9-3-1-7(5-10(9)13)11-4-2-8(6-14)15-11/h1-6H
InChIKey
PSQLTDROSWBPGT-UHFFFAOYSA-N
Compound name
5-(3,4-dichlorophenyl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

239.97449 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.98177 145.8
[M+Na]+ 262.96371 162.3
[M+NH4]+ 258.00831 155.4
[M+K]+ 278.93765 155.7
[M-H]- 238.96721 151.1
[M+Na-2H]- 260.94916 154.2
[M]+ 239.97394 150.4
[M]- 239.97504 150.4
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