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: 160
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	127.9
[M+Na]+	179.00008	136.5
[M-H]-	155.00358	127.7
[M+NH4]+	174.04468	150.3
[M+K]+	194.97402	133.5
[M+H-H2O]+	139.00812	125.5
[M+HCOO]-	201.00906	141.7
[M+CH3COO]-	215.02471	175.9
[M+Na-2H]-	176.98553	133.3
[M]+	156.01031	132.1
[M]-	156.01141	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe