CID 52390

Malonic acid, (3-chloro-4-hydroxybenzylidene)-

Structural Information

Molecular Formula
C10H7ClO5
SMILES
C1=CC(=C(C=C1C=C(C(=O)O)C(=O)O)Cl)O
InChI
InChI=1S/C10H7ClO5/c11-7-4-5(1-2-8(7)12)3-6(9(13)14)10(15)16/h1-4,12H,(H,13,14)(H,15,16)
InChIKey
HKMCCLUDAGQTBR-UHFFFAOYSA-N
Compound name
2-[(3-chloro-4-hydroxyphenyl)methylidene]propanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.9982 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00548 144.5
[M+Na]+ 264.98742 152.8
[M-H]- 240.99092 144.8
[M+NH4]+ 260.03202 160.8
[M+K]+ 280.96136 148.6
[M+H-H2O]+ 224.99546 140.8
[M+HCOO]- 286.99640 158.7
[M+CH3COO]- 301.01205 182.9
[M+Na-2H]- 262.97287 145.6
[M]+ 241.99765 145.4
[M]- 241.99875 145.4
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.