CID 126961085

(3e)-5-chloro-2-oxopent-3-enoate

Structural Information

Molecular Formula
C5H5ClO3
SMILES
C(/C=C/C(=O)C(=O)O)Cl
InChI
InChI=1S/C5H5ClO3/c6-3-1-2-4(7)5(8)9/h1-2H,3H2,(H,8,9)/b2-1+
InChIKey
SPEALOOYOUHCOT-OWOJBTEDSA-N
Compound name
(E)-5-chloro-2-oxopent-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

147.99272 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.999996 124.5
[M+Na]+ 170.981938 133.0
[M-H]- 146.985444 123.8
[M+NH4]+ 166.026543 145.9
[M+K]+ 186.955878 130.4
[M+H-H2O]+ 130.989980 121.6
[M+HCOO]- 192.990921 142.1
[M+CH3COO]- 207.006571 169.6
[M+Na-2H]- 168.967386 128.9
[M]+ 147.99217142 126.2
[M]- 147.99326858 126.2
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.