CID 19575264

827592-22-3

Structural Information

Molecular Formula

C₁₀H₉ClO₅

SMILES

COC1=C(C=C(C(=C1)C=O)Cl)OCC(=O)O

InChI

InChI=1S/C10H9ClO5/c1-15-8-2-6(4-12)7(11)3-9(8)16-5-10(13)14/h2-4H,5H2,1H3,(H,13,14)

InChIKey

LNHVLHKQMJQEHS-UHFFFAOYSA-N

Compound name

2-(5-chloro-4-formyl-2-methoxyphenoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 244.01385 Da
Monoisotopic Mass: 1.5
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]+	245.02113	146.6
[M+Na]+	267.00307	159.1
[M+NH4]+	262.04767	153.0
[M+K]+	282.97701	154.2
[M-H]-	243.00657	146.3
[M+Na-2H]-	264.98852	151.2
[M]+	244.01330	148.3
[M]-	244.01440	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe