CID 15596983

1-(2-chloro-1-propoxyethoxy)propane

Structural Information

Molecular Formula
C8H17ClO2
SMILES
CCCOC(CCl)OCCC
InChI
InChI=1S/C8H17ClO2/c1-3-5-10-8(7-9)11-6-4-2/h8H,3-7H2,1-2H3
InChIKey
RPBLJRRVGJPMEZ-UHFFFAOYSA-N
Compound name
1-(2-chloro-1-propoxyethoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

180.0917 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09898 137.6
[M+Na]+ 203.08092 148.3
[M+NH4]+ 198.12552 145.7
[M+K]+ 219.05486 142.0
[M-H]- 179.08442 137.0
[M+Na-2H]- 201.06637 141.2
[M]+ 180.09115 139.1
[M]- 180.09225 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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