CID 16750022

5-chloro-2-oxopent-4-enoate

Structural Information

Molecular Formula
C5H5ClO3
SMILES
C(/C=C/Cl)C(=O)C(=O)O
InChI
InChI=1S/C5H5ClO3/c6-3-1-2-4(7)5(8)9/h1,3H,2H2,(H,8,9)/b3-1+
InChIKey
CLQFZRHMJQMQTF-HNQUOIGGSA-N
Compound name
(E)-5-chloro-2-oxopent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

147.99272 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.00000 125.9
[M+Na]+ 170.98194 136.0
[M+NH4]+ 166.02654 132.6
[M+K]+ 186.95588 131.8
[M-H]- 146.98544 123.4
[M+Na-2H]- 168.96739 128.5
[M]+ 147.99217 126.5
[M]- 147.99327 126.5
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.