CID 2785147

34402-92-1

Structural Information

Molecular Formula

C₁₁H₁₁ClO₄

SMILES

COC(=O)C(C1=CC=C(C=C1)Cl)C(=O)OC

InChI

InChI=1S/C11H11ClO4/c1-15-10(13)9(11(14)16-2)7-3-5-8(12)6-4-7/h3-6,9H,1-2H3

InChIKey

CYPPECTXRWWSQY-UHFFFAOYSA-N

Compound name

dimethyl 2-(4-chlorophenyl)propanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 242.03459 Da
Monoisotopic Mass: 2.5
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]+	243.04187	148.3
[M+Na]+	265.02381	160.3
[M+NH4]+	260.06841	155.3
[M+K]+	280.99775	155.6
[M-H]-	241.02731	148.6
[M+Na-2H]-	263.00926	153.5
[M]+	242.03404	150.2
[M]-	242.03514	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe