CID 155820500

2460755-16-0

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]+ 217.026216 141.8
[M+Na]+ 239.008158 151.8
[M-H]- 215.011664 146.8
[M+NH4]+ 234.052763 162.1
[M+K]+ 254.982098 150.6
[M+H-H2O]+ 199.016200 137.8
[M+HCOO]- 261.017141 160.9
[M+CH3COO]- 275.032791 184.9
[M+Na-2H]- 236.993606 144.7
[M]+ 216.01839142 148.8
[M]- 216.01948858 148.8
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

No patent data available for this compound.