CID 33726

Bis(chloromethyl)naphthalene

Structural Information

Molecular Formula

C₁₂H₁₀Cl₂

SMILES

C1=CC=C2C(=C1)C=CC(=C2CCl)CCl

InChI

InChI=1S/C12H10Cl2/c13-7-10-6-5-9-3-1-2-4-11(9)12(10)8-14/h1-6H,7-8H2

InChIKey

ILOBCCAMDOHZGW-UHFFFAOYSA-N

Compound name

1,2-bis(chloromethyl)naphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 224.01596 Da
Monoisotopic Mass: 4.0
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]+	225.02324	143.5
[M+Na]+	247.00518	161.0
[M+NH4]+	242.04978	154.9
[M+K]+	262.97912	150.5
[M-H]-	223.00868	148.0
[M+Na-2H]-	244.99063	152.8
[M]+	224.01541	148.2
[M]-	224.01651	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe