CID 10489

Amylene dichloride

Structural Information

Molecular Formula

C₅H₁₀Cl₂

SMILES

CC(C(C)(C)Cl)Cl

InChI

InChI=1S/C5H10Cl2/c1-4(6)5(2,3)7/h4H,1-3H3

InChIKey

TXTORVZCRUFBBO-UHFFFAOYSA-N

Compound name

2,3-dichloro-2-methylbutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 85
Patents: 140.01596 Da
Monoisotopic Mass: 2.5
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]+	141.02324	124.8
[M+Na]+	163.00518	133.8
[M-H]-	139.00868	125.0
[M+NH4]+	158.04978	148.0
[M+K]+	178.97912	130.7
[M+H-H2O]+	123.01322	123.1
[M+HCOO]-	185.01416	136.8
[M+CH3COO]-	199.02981	174.4
[M+Na-2H]-	160.99063	130.8
[M]+	140.01541	127.1
[M]-	140.01651	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe