CID 689533

106827-26-3

Structural Information

Molecular Formula
C11H6Cl2O2
SMILES
C1=CC(=C(C(=C1)Cl)Cl)C2=CC=C(O2)C=O
InChI
InChI=1S/C11H6Cl2O2/c12-9-3-1-2-8(11(9)13)10-5-4-7(6-14)15-10/h1-6H
InChIKey
DFXHLUMKJNNXSE-UHFFFAOYSA-N
Compound name
5-(2,3-dichlorophenyl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
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 147.6
[M+Na]+ 262.96371 159.7
[M-H]- 238.96721 155.1
[M+NH4]+ 258.00831 167.4
[M+K]+ 278.93765 154.8
[M+H-H2O]+ 222.97175 143.1
[M+HCOO]- 284.97269 163.5
[M+CH3COO]- 298.98834 188.0
[M+Na-2H]- 260.94916 152.0
[M]+ 239.97394 153.4
[M]- 239.97504 153.4
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