CID 101409515

914300-10-0

Structural Information

Molecular Formula

C₁₂H₁₁ClO

SMILES

C1=CC=C2C=C(C=CC2=C1)COCCl

InChI

InChI=1S/C12H11ClO/c13-9-14-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7H,8-9H2

InChIKey

JWLIHCRRWYZQGL-UHFFFAOYSA-N

Compound name

2-(chloromethoxymethyl)naphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 206.04984 Da
Monoisotopic Mass: 3.4
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]+	207.05712	141.0
[M+Na]+	229.03906	150.4
[M-H]-	205.04256	145.4
[M+NH4]+	224.08366	162.1
[M+K]+	245.01300	145.5
[M+H-H2O]+	189.04710	135.7
[M+HCOO]-	251.04804	160.1
[M+CH3COO]-	265.06369	184.8
[M+Na-2H]-	227.02451	149.7
[M]+	206.04929	144.6
[M]-	206.05039	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe