CID 91647701

1017277-41-6

Structural Information

Molecular Formula

C₁₁H₁₁ClO₃

SMILES

C1CO[C@H]([C@@H]1C(=O)O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C11H11ClO3/c12-8-3-1-7(2-4-8)10-9(11(13)14)5-6-15-10/h1-4,9-10H,5-6H2,(H,13,14)/t9-,10+/m1/s1

InChIKey

UGUJBBPWDUGJLX-ZJUUUORDSA-N

Compound name

(2R,3R)-2-(4-chlorophenyl)oxolane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.03967 Da
Monoisotopic Mass: 1.9
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]+	227.046946	147.0
[M+Na]+	249.028888	155.0
[M-H]-	225.032394	153.1
[M+NH4]+	244.073493	165.7
[M+K]+	265.002828	152.0
[M+H-H2O]+	209.036930	142.1
[M+HCOO]-	271.037871	163.1
[M+CH3COO]-	285.053521	183.2
[M+Na-2H]-	247.014336	149.6
[M]+	226.03912142	147.6
[M]-	226.04021858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe