CID 9543297

2-chloro-5-methyl-cis-dienelactone

Structural Information

Molecular Formula
C7H5ClO4
SMILES
C/C(=C\1/C=C(C(=O)O1)Cl)/C(=O)O
InChI
InChI=1S/C7H5ClO4/c1-3(6(9)10)5-2-4(8)7(11)12-5/h2H,1H3,(H,9,10)/b5-3+
InChIKey
KPWMDCDICLSMLX-HWKANZROSA-N
Compound name
(2E)-2-(4-chloro-5-oxofuran-2-ylidene)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

187.98764 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.99492 134.2
[M+Na]+ 210.97686 144.5
[M+NH4]+ 206.02146 140.8
[M+K]+ 226.95080 143.1
[M-H]- 186.98036 134.2
[M+Na-2H]- 208.96231 136.4
[M]+ 187.98709 135.5
[M]- 187.98819 135.5
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.