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]+ 237.03130 147.4
[M+Na]+ 259.01324 158.7
[M-H]- 235.01674 155.8
[M+NH4]+ 254.05784 167.0
[M+K]+ 274.98718 155.6
[M+H-H2O]+ 219.02128 142.2
[M+HCOO]- 281.02222 168.6
[M+CH3COO]- 295.03787 188.4
[M+Na-2H]- 256.99869 152.4
[M]+ 236.02347 154.1
[M]- 236.02457 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