CID 155820500

Methyl4-(2-chloroacetyl)-5-methylfuran-2-carboxylate

Structural Information

Molecular Formula
C9H9ClO4
SMILES
CC1=C(C=C(O1)C(=O)OC)C(=O)CCl
InChI
InChI=1S/C9H9ClO4/c1-5-6(7(11)4-10)3-8(14-5)9(12)13-2/h3H,4H2,1-2H3
InChIKey
AZOQONUQTYUNFY-UHFFFAOYSA-N
Compound name
methyl 4-(2-chloroacetyl)-5-methylfuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.01894 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02622 141.8
[M+Na]+ 239.00816 153.1
[M+NH4]+ 234.05276 148.7
[M+K]+ 254.98210 150.8
[M-H]- 215.01166 142.7
[M+Na-2H]- 236.99361 145.1
[M]+ 216.01839 143.7
[M]- 216.01949 143.7
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

No patent data available for this compound.