CID 25244291

(r)-(2-chloro-5-oxo-2,5-dihydro-2-furyl)acetate

Structural Information

Molecular Formula
C6H5ClO4
SMILES
C1=C[C@@](OC1=O)(CC(=O)O)Cl
InChI
InChI=1S/C6H5ClO4/c7-6(3-4(8)9)2-1-5(10)11-6/h1-2H,3H2,(H,8,9)/t6-/m1/s1
InChIKey
WGZZDRVKIXVYEI-ZCFIWIBFSA-N
Compound name
2-[(2R)-2-chloro-5-oxofuran-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

175.98764 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.994916 128.6
[M+Na]+ 198.976858 138.5
[M-H]- 174.980364 132.2
[M+NH4]+ 194.021463 151.4
[M+K]+ 214.950798 137.1
[M+H-H2O]+ 158.984900 126.1
[M+HCOO]- 220.985841 146.8
[M+CH3COO]- 235.001491 171.9
[M+Na-2H]- 196.962306 134.9
[M]+ 175.98709142 131.7
[M]- 175.98818858 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.