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]+ 149.00000 124.5
[M+Na]+ 170.98194 133.0
[M-H]- 146.98544 123.8
[M+NH4]+ 166.02654 145.9
[M+K]+ 186.95588 130.4
[M+H-H2O]+ 130.98998 121.6
[M+HCOO]- 192.99092 142.1
[M+CH3COO]- 207.00657 169.6
[M+Na-2H]- 168.96739 128.9
[M]+ 147.99217 126.2
[M]- 147.99327 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.