CID 111434

68921-93-7

Structural Information

Molecular Formula

C₉H₈Cl₂O₃

SMILES

C1=CC(=C(C=C1CC(C(=O)O)O)Cl)Cl

InChI

InChI=1S/C9H8Cl2O3/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,12H,4H2,(H,13,14)

InChIKey

QREPBOPOIRZWDG-UHFFFAOYSA-N

Compound name

3-(3,4-dichlorophenyl)-2-hydroxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 11
Patents: 233.98505 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	234.99233	143.8
[M+Na]+	256.97427	156.6
[M+NH4]+	252.01887	151.4
[M+K]+	272.94821	151.2
[M-H]-	232.97777	143.9
[M+Na-2H]-	254.95972	148.9
[M]+	233.98450	146.1
[M]-	233.98560	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe