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
2
Annotation Hits

0
References

29
Patents

180.0917 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.098976 139.2
[M+Na]+ 203.080918 146.4
[M-H]- 179.084424 139.0
[M+NH4]+ 198.125523 160.4
[M+K]+ 219.054858 144.4
[M+H-H2O]+ 163.088960 135.1
[M+HCOO]- 225.089901 158.3
[M+CH3COO]- 239.105551 181.1
[M+Na-2H]- 201.066366 144.9
[M]+ 180.09115142 145.9
[M]- 180.09224858 145.9
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