CID 123506

1-(2-chloroethoxy)propane

Structural Information

Molecular Formula
C5H11ClO
SMILES
CCCOCCCl
InChI
InChI=1S/C5H11ClO/c1-2-4-7-5-3-6/h2-5H2,1H3
InChIKey
BHDSGQOSIWVMJW-UHFFFAOYSA-N
Compound name
1-(2-chloroethoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

423
Patents

122.04984 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05712 120.9
[M+Na]+ 145.03906 133.0
[M+NH4]+ 140.08366 130.1
[M+K]+ 161.01300 126.1
[M-H]- 121.04256 121.1
[M+Na-2H]- 143.02451 126.2
[M]+ 122.04929 122.9
[M]- 122.05039 122.9
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