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 138.0
[M+Na]+ 224.99250 147.5
[M-H]- 200.99600 142.8
[M+NH4]+ 220.03710 158.5
[M+K]+ 240.96644 146.6
[M+H-H2O]+ 185.00054 133.9
[M+HCOO]- 247.00148 157.4
[M+CH3COO]- 261.01713 180.7
[M+Na-2H]- 222.97795 142.0
[M]+ 202.00273 144.2
[M]- 202.00383 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.