CID 69462354

Schembl5492869

Structural Information

Molecular Formula

C₁₁H₈Cl₂

SMILES

CC1=C(C2=C(C=C1)C(=CC=C2)Cl)Cl

InChI

InChI=1S/C11H8Cl2/c1-7-5-6-8-9(11(7)13)3-2-4-10(8)12/h2-6H,1H3

InChIKey

CUXBIJPZUVVCTH-UHFFFAOYSA-N

Compound name

1,5-dichloro-2-methylnaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 210.0003 Da
Monoisotopic Mass: 4.8
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]+	211.007576	138.6
[M+Na]+	232.989518	150.7
[M-H]-	208.993024	143.1
[M+NH4]+	228.034123	160.6
[M+K]+	248.963458	144.3
[M+H-H2O]+	192.997560	134.8
[M+HCOO]-	254.998501	152.7
[M+CH3COO]-	269.014151	152.8
[M+Na-2H]-	230.974966	145.7
[M]+	209.99975142	142.4
[M]-	210.00084858	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe