CID 43810601

Methyl 5-(1-chloroethyl)furan-2-carboxylate

Structural Information

Molecular Formula
C8H9ClO3
SMILES
CC(C1=CC=C(O1)C(=O)OC)Cl
InChI
InChI=1S/C8H9ClO3/c1-5(9)6-3-4-7(12-6)8(10)11-2/h3-5H,1-2H3
InChIKey
DDJKSSJENIXXPV-UHFFFAOYSA-N
Compound name
methyl 5-(1-chloroethyl)furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.02402 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03130 136.7
[M+Na]+ 211.01324 146.0
[M-H]- 187.01674 141.4
[M+NH4]+ 206.05784 157.9
[M+K]+ 226.98718 145.1
[M+H-H2O]+ 171.02128 132.6
[M+HCOO]- 233.02222 155.7
[M+CH3COO]- 247.03787 179.5
[M+Na-2H]- 208.99869 140.6
[M]+ 188.02347 142.1
[M]- 188.02457 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.