CID 50989140

Methyl 5-(2-chloroacetyl)furan-3-carboxylate

Structural Information

Molecular Formula
C8H7ClO4
SMILES
COC(=O)C1=COC(=C1)C(=O)CCl
InChI
InChI=1S/C8H7ClO4/c1-12-8(11)5-2-7(13-4-5)6(10)3-9/h2,4H,3H2,1H3
InChIKey
PEFRMHKBZRPHAX-UHFFFAOYSA-N
Compound name
methyl 5-(2-chloroacetyl)furan-3-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]+ 203.010556 138.0
[M+Na]+ 224.992498 147.5
[M-H]- 200.996004 142.8
[M+NH4]+ 220.037103 158.5
[M+K]+ 240.966438 146.6
[M+H-H2O]+ 185.000540 133.9
[M+HCOO]- 247.001481 157.4
[M+CH3COO]- 261.017131 180.7
[M+Na-2H]- 222.977946 142.0
[M]+ 202.00273142 144.2
[M]- 202.00382858 144.2
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.