CID 44123495

5-chloro-2-methyl-dienelactone

Structural Information

Molecular Formula
C7H5ClO4
SMILES
CC1=C/C(=C(\C(=O)O)/Cl)/OC1=O
InChI
InChI=1S/C7H5ClO4/c1-3-2-4(12-7(3)11)5(8)6(9)10/h2H,1H3,(H,9,10)/b5-4-
InChIKey
XYOSONPHVWTSJL-PLNGDYQASA-N
Compound name
(2Z)-2-chloro-2-(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

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.99492 133.6
[M+Na]+ 210.97686 143.2
[M-H]- 186.98036 137.2
[M+NH4]+ 206.02146 154.1
[M+K]+ 226.95080 141.2
[M+H-H2O]+ 170.98490 130.4
[M+HCOO]- 232.98584 150.6
[M+CH3COO]- 247.00149 175.9
[M+Na-2H]- 208.96231 136.1
[M]+ 187.98709 135.7
[M]- 187.98819 135.7
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.