CID 9543303

2-chloro-3-methyl-cis/trans-dienelactone

Structural Information

Molecular Formula
C7H5ClO4
SMILES
CC1=C(/C(=C\C(=O)O)/OC1=O)Cl
InChI
InChI=1S/C7H5ClO4/c1-3-6(8)4(2-5(9)10)12-7(3)11/h2H,1H3,(H,9,10)/b4-2+
InChIKey
OYEYSZZDZDSDCR-DUXPYHPUSA-N
Compound name
(2E)-2-(3-chloro-4-methyl-5-oxofuran-2-ylidene)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

187.98764 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.99492 133.7
[M+Na]+ 210.97686 144.7
[M+NH4]+ 206.02146 140.4
[M+K]+ 226.95080 142.7
[M-H]- 186.98036 133.9
[M+Na-2H]- 208.96231 136.0
[M]+ 187.98709 135.3
[M]- 187.98819 135.3
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.