CID 12853097

Methyl 3-(chloromethyl)-4-methoxybenzoate

Structural Information

Molecular Formula

C₁₀H₁₁ClO₃

SMILES

COC1=C(C=C(C=C1)C(=O)OC)CCl

InChI

InChI=1S/C10H11ClO3/c1-13-9-4-3-7(10(12)14-2)5-8(9)6-11/h3-5H,6H2,1-2H3

InChIKey

GGMLVQZGDANIEE-UHFFFAOYSA-N

Compound name

methyl 3-(chloromethyl)-4-methoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 214.03967 Da
Monoisotopic Mass: 2.1
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]+	215.04695	141.6
[M+Na]+	237.02889	155.4
[M+NH4]+	232.07349	149.9
[M+K]+	253.00283	148.9
[M-H]-	213.03239	143.2
[M+Na-2H]-	235.01434	148.1
[M]+	214.03912	144.3
[M]-	214.04022	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe