CID 4770938

5-(5-chloro-2-methoxyphenyl)furan-2-carbaldehyde

Structural Information

Molecular Formula
C12H9ClO3
SMILES
COC1=C(C=C(C=C1)Cl)C2=CC=C(O2)C=O
InChI
InChI=1S/C12H9ClO3/c1-15-11-4-2-8(13)6-10(11)12-5-3-9(7-14)16-12/h2-7H,1H3
InChIKey
OMAOQPJGWUDXNE-UHFFFAOYSA-N
Compound name
5-(5-chloro-2-methoxyphenyl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

236.02402 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.03130 146.8
[M+Na]+ 259.01324 162.1
[M+NH4]+ 254.05784 155.7
[M+K]+ 274.98718 156.7
[M-H]- 235.01674 151.8
[M+Na-2H]- 256.99869 154.7
[M]+ 236.02347 150.8
[M]- 236.02457 150.8
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

patents stripe