CID 47002840

Methyl 5-(chloromethyl)furan-3-carboxylate

Structural Information

Molecular Formula
C7H7ClO3
SMILES
COC(=O)C1=COC(=C1)CCl
InChI
InChI=1S/C7H7ClO3/c1-10-7(9)5-2-6(3-8)11-4-5/h2,4H,3H2,1H3
InChIKey
MKTBDDIZMVUFDS-UHFFFAOYSA-N
Compound name
methyl 5-(chloromethyl)furan-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

174.00838 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01566 131.0
[M+Na]+ 196.99760 143.2
[M+NH4]+ 192.04220 139.3
[M+K]+ 212.97154 139.8
[M-H]- 173.00110 132.9
[M+Na-2H]- 194.98305 136.0
[M]+ 174.00783 133.4
[M]- 174.00893 133.4
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