CID 67366896

1324054-63-8

Structural Information

Molecular Formula

C₁₀H₉ClO₄

SMILES

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

InChI

InChI=1S/C10H9ClO4/c1-15-10(14)7-3-2-6(5-9(12)13)8(11)4-7/h2-4H,5H2,1H3,(H,12,13)

InChIKey

BQYYKGJDXJRUEN-UHFFFAOYSA-N

Compound name

2-(2-chloro-4-methoxycarbonylphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 228.01894 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]+	229.02622	144.2
[M+Na]+	251.00816	156.6
[M+NH4]+	246.05276	151.1
[M+K]+	266.98210	151.7
[M-H]-	227.01166	144.3
[M+Na-2H]-	248.99361	149.1
[M]+	228.01839	146.1
[M]-	228.01949	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe