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 139.2
[M+Na]+ 203.08092 146.4
[M-H]- 179.08442 139.0
[M+NH4]+ 198.12552 160.4
[M+K]+ 219.05486 144.4
[M+H-H2O]+ 163.08896 135.1
[M+HCOO]- 225.08990 158.3
[M+CH3COO]- 239.10555 181.1
[M+Na-2H]- 201.06637 144.9
[M]+ 180.09115 145.9
[M]- 180.09225 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