CID 97034822

Methyl 5-(2-chloroacetyl)furan-2-carboxylate

Structural Information

Molecular Formula
C8H7ClO4
SMILES
COC(=O)C1=CC=C(O1)C(=O)CCl
InChI
InChI=1S/C8H7ClO4/c1-12-8(11)7-3-2-6(13-7)5(10)4-9/h2-3H,4H2,1H3
InChIKey
VPFJMHLPUNVWNL-UHFFFAOYSA-N
Compound name
methyl 5-(2-chloroacetyl)furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.00328 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01056 137.7
[M+Na]+ 224.99250 148.9
[M+NH4]+ 220.03710 144.9
[M+K]+ 240.96644 146.6
[M-H]- 200.99600 138.6
[M+Na-2H]- 222.97795 141.5
[M]+ 202.00273 139.6
[M]- 202.00383 139.6
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.