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]+ 176.99492 128.6
[M+Na]+ 198.97686 138.5
[M-H]- 174.98036 132.2
[M+NH4]+ 194.02146 151.4
[M+K]+ 214.95080 137.1
[M+H-H2O]+ 158.98490 126.1
[M+HCOO]- 220.98584 146.8
[M+CH3COO]- 235.00149 171.9
[M+Na-2H]- 196.96231 134.9
[M]+ 175.98709 131.7
[M]- 175.98819 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.