CID 2434831

27472-20-4

Structural Information

Molecular Formula

C₁₁H₁₅ClO₂

SMILES

CCOC1=C(C=C(C=C1)CCl)OCC

InChI

InChI=1S/C11H15ClO2/c1-3-13-10-6-5-9(8-12)7-11(10)14-4-2/h5-7H,3-4,8H2,1-2H3

InChIKey

TXBSWQWDLFJQMU-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-1,2-diethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 464
Patents: 214.07605 Da
Monoisotopic Mass: 2.6
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]+	215.083326	144.3
[M+Na]+	237.065268	153.5
[M-H]-	213.068774	148.0
[M+NH4]+	232.109873	164.4
[M+K]+	253.039208	150.2
[M+H-H2O]+	197.073310	139.3
[M+HCOO]-	259.074251	164.1
[M+CH3COO]-	273.089901	187.5
[M+Na-2H]-	235.050716	149.6
[M]+	214.07550142	150.6
[M]-	214.07659858	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe