CID 263166

Ethyl 5-(chloromethyl)-2-furancarboxylate

Structural Information

Molecular Formula
C8H9ClO3
SMILES
CCOC(=O)C1=CC=C(O1)CCl
InChI
InChI=1S/C8H9ClO3/c1-2-11-8(10)7-4-3-6(5-9)12-7/h3-4H,2,5H2,1H3
InChIKey
JBACYJRMCXLIQU-UHFFFAOYSA-N
Compound name
ethyl 5-(chloromethyl)furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

652
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 136.6
[M+Na]+ 211.01324 146.2
[M-H]- 187.01674 141.2
[M+NH4]+ 206.05784 157.9
[M+K]+ 226.98718 144.9
[M+H-H2O]+ 171.02128 132.4
[M+HCOO]- 233.02222 156.6
[M+CH3COO]- 247.03787 178.7
[M+Na-2H]- 208.99869 141.7
[M]+ 188.02347 142.6
[M]- 188.02457 142.6
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

patents stripe