CID 115007361

4-(3-chlorophenyl)-2-hydroxybut-2-enoic acid

Structural Information

Molecular Formula
C10H9ClO3
SMILES
C1=CC(=CC(=C1)Cl)C/C=C(/C(=O)O)\O
InChI
InChI=1S/C10H9ClO3/c11-8-3-1-2-7(6-8)4-5-9(12)10(13)14/h1-3,5-6,12H,4H2,(H,13,14)/b9-5-
InChIKey
QIQHVWQHMBLRDK-UITAMQMPSA-N
Compound name
(Z)-4-(3-chlorophenyl)-2-hydroxybut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.02402 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.031296 141.6
[M+Na]+ 235.013238 149.6
[M-H]- 211.016744 142.7
[M+NH4]+ 230.057843 159.8
[M+K]+ 250.987178 144.9
[M+H-H2O]+ 195.021280 137.5
[M+HCOO]- 257.022221 157.5
[M+CH3COO]- 271.037871 179.5
[M+Na-2H]- 232.998686 144.8
[M]+ 212.02347142 142.2
[M]- 212.02456858 142.2
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.