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 139.6
[M+Na]+ 203.08092 146.5
[M-H]- 179.08442 139.4
[M+NH4]+ 198.12552 160.7
[M+K]+ 219.05486 145.0
[M+H-H2O]+ 163.08896 135.6
[M+HCOO]- 225.08990 157.7
[M+CH3COO]- 239.10555 181.9
[M+Na-2H]- 201.06637 144.0
[M]+ 180.09115 145.7
[M]- 180.09225 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe