CID 4770938

853314-04-2

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]+ 237.031296 147.4
[M+Na]+ 259.013238 158.7
[M-H]- 235.016744 155.8
[M+NH4]+ 254.057843 167.0
[M+K]+ 274.987178 155.6
[M+H-H2O]+ 219.021280 142.2
[M+HCOO]- 281.022221 168.6
[M+CH3COO]- 295.037871 188.4
[M+Na-2H]- 256.998686 152.4
[M]+ 236.02347142 154.1
[M]- 236.02456858 154.1
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