CID 14774143

123226-34-6

Structural Information

Molecular Formula

C₁₀H₁₁ClO₃

SMILES

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

InChI

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

InChIKey

OWYFTHXMARVQFM-UHFFFAOYSA-N

Compound name

methyl 4-(chloromethyl)-3-methoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
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]+	215.046946	141.1
[M+Na]+	237.028888	150.8
[M-H]-	213.032394	145.3
[M+NH4]+	232.073493	161.2
[M+K]+	253.002828	148.2
[M+H-H2O]+	197.036930	136.4
[M+HCOO]-	259.037871	160.8
[M+CH3COO]-	273.053521	185.8
[M+Na-2H]-	235.014336	145.9
[M]+	214.03912142	147.1
[M]-	214.04021858	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe