CID 3612689

Methyl 5-(2,4-dichlorophenyl)furan-2-carboxylate

Structural Information

Molecular Formula
C12H8Cl2O3
SMILES
COC(=O)C1=CC=C(O1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H8Cl2O3/c1-16-12(15)11-5-4-10(17-11)8-3-2-7(13)6-9(8)14/h2-6H,1H3
InChIKey
QBBWEZYIGKVNTH-UHFFFAOYSA-N
Compound name
methyl 5-(2,4-dichlorophenyl)furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.98505 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.99233 154.8
[M+Na]+ 292.97427 166.1
[M-H]- 268.97777 162.5
[M+NH4]+ 288.01887 173.4
[M+K]+ 308.94821 162.1
[M+H-H2O]+ 252.98231 150.2
[M+HCOO]- 314.98325 169.7
[M+CH3COO]- 328.99890 193.1
[M+Na-2H]- 290.95972 157.7
[M]+ 269.98450 161.9
[M]- 269.98560 161.9
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