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
2
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]+ 148.999996 125.1
[M+Na]+ 170.981938 132.9
[M-H]- 146.985444 123.0
[M+NH4]+ 166.026543 145.7
[M+K]+ 186.955878 129.9
[M+H-H2O]+ 130.989980 122.6
[M+HCOO]- 192.990921 140.2
[M+CH3COO]- 207.006571 167.9
[M+Na-2H]- 168.967386 127.7
[M]+ 147.99217142 124.3
[M]- 147.99326858 124.3
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.