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 125.1
[M+Na]+ 170.98194 132.9
[M-H]- 146.98544 123.0
[M+NH4]+ 166.02654 145.7
[M+K]+ 186.95588 129.9
[M+H-H2O]+ 130.98998 122.6
[M+HCOO]- 192.99092 140.2
[M+CH3COO]- 207.00657 167.9
[M+Na-2H]- 168.96739 127.7
[M]+ 147.99217 124.3
[M]- 147.99327 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.