CID 115007361

1899087-82-1

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]+ 213.03130 141.6
[M+Na]+ 235.01324 149.6
[M-H]- 211.01674 142.7
[M+NH4]+ 230.05784 159.8
[M+K]+ 250.98718 144.9
[M+H-H2O]+ 195.02128 137.5
[M+HCOO]- 257.02222 157.5
[M+CH3COO]- 271.03787 179.5
[M+Na-2H]- 232.99869 144.8
[M]+ 212.02347 142.2
[M]- 212.02457 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.