CID 12364389

Methyl 5-(chloromethyl)-3-methylfuran-2-carboxylate

Structural Information

Molecular Formula
C8H9ClO3
SMILES
CC1=C(OC(=C1)CCl)C(=O)OC
InChI
InChI=1S/C8H9ClO3/c1-5-3-6(4-9)12-7(5)8(10)11-2/h3H,4H2,1-2H3
InChIKey
ZWGFYPNKQGNYPI-UHFFFAOYSA-N
Compound name
methyl 5-(chloromethyl)-3-methylfuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
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 135.7
[M+Na]+ 211.01324 146.2
[M-H]- 187.01674 140.7
[M+NH4]+ 206.05784 157.4
[M+K]+ 226.98718 144.9
[M+H-H2O]+ 171.02128 131.9
[M+HCOO]- 233.02222 155.7
[M+CH3COO]- 247.03787 179.8
[M+Na-2H]- 208.99869 140.2
[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

No literature data available for this compound.

Patent stripe

patents stripe