CID 4387168

2-{[(2-chlorophenyl)methoxy]methyl}oxirane

Structural Information

Molecular Formula

C₁₀H₁₁ClO₂

SMILES

C1C(O1)COCC2=CC=CC=C2Cl

InChI

InChI=1S/C10H11ClO2/c11-10-4-2-1-3-8(10)5-12-6-9-7-13-9/h1-4,9H,5-7H2

InChIKey

QIGRNFRVHVCFEF-UHFFFAOYSA-N

Compound name

2-[(2-chlorophenyl)methoxymethyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 198.04475 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]+	199.052026	137.2
[M+Na]+	221.033968	147.5
[M-H]-	197.037474	145.3
[M+NH4]+	216.078573	151.4
[M+K]+	237.007908	145.1
[M+H-H2O]+	181.042010	131.0
[M+HCOO]-	243.042951	156.8
[M+CH3COO]-	257.058601	185.0
[M+Na-2H]-	219.019416	145.1
[M]+	198.04420142	144.1
[M]-	198.04529858	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe