CID 4278354

5312-73-2

Structural Information

Molecular Formula

C₅H₁₀Cl₂O

SMILES

CCCCOC(Cl)Cl

InChI

InChI=1S/C5H10Cl2O/c1-2-3-4-8-5(6)7/h5H,2-4H2,1H3

InChIKey

GVVHBNABFJZWIC-UHFFFAOYSA-N

Compound name

1-(dichloromethoxy)butane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 144
Patents: 156.01086 Da
Monoisotopic Mass: 2.8
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]+	157.01814	126.8
[M+Na]+	179.00008	139.0
[M+NH4]+	174.04468	135.9
[M+K]+	194.97402	132.3
[M-H]-	155.00358	126.7
[M+Na-2H]-	176.98553	131.7
[M]+	156.01031	129.0
[M]-	156.01141	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe