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]+ 217.02622 141.8
[M+Na]+ 239.00816 151.8
[M-H]- 215.01166 146.8
[M+NH4]+ 234.05276 162.1
[M+K]+ 254.98210 150.6
[M+H-H2O]+ 199.01620 137.8
[M+HCOO]- 261.01714 160.9
[M+CH3COO]- 275.03279 184.9
[M+Na-2H]- 236.99361 144.7
[M]+ 216.01839 148.8
[M]- 216.01949 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.