CID 5281907

Cis-2-hydroxy-3-chloropenta-2,4-dienone

Structural Information

Molecular Formula
C5H5ClO3
SMILES
C=C/C(=C(\C(=O)O)/O)/Cl
InChI
InChI=1S/C5H5ClO3/c1-2-3(6)4(7)5(8)9/h2,7H,1H2,(H,8,9)/b4-3-
InChIKey
XZOBUTBZRFDQBU-ARJAWSKDSA-N
Compound name
(2Z)-3-chloro-2-hydroxypenta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

147.99272 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.00000 126.7
[M+Na]+ 170.98194 135.9
[M+NH4]+ 166.02654 132.9
[M+K]+ 186.95588 132.8
[M-H]- 146.98544 123.4
[M+Na-2H]- 168.96739 128.2
[M]+ 147.99217 126.8
[M]- 147.99327 126.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.