CID 61267

1-[2-(2-chloroethoxy)ethoxy]butane

Structural Information

Molecular Formula
C8H17ClO2
SMILES
CCCCOCCOCCCl
InChI
InChI=1S/C8H17ClO2/c1-2-3-5-10-7-8-11-6-4-9/h2-8H2,1H3
InChIKey
DZWMJKOIMKFXIJ-UHFFFAOYSA-N
Compound name
1-[2-(2-chloroethoxy)ethoxy]butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

180.0917 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09898 137.2
[M+Na]+ 203.08092 148.3
[M+NH4]+ 198.12552 145.4
[M+K]+ 219.05486 141.2
[M-H]- 179.08442 136.8
[M+Na-2H]- 201.06637 141.2
[M]+ 180.09115 138.8
[M]- 180.09225 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe