CID 534743

Chloromethyl octyl ether

Structural Information

Molecular Formula
C9H19ClO
SMILES
CCCCCCCCOCCl
InChI
InChI=1S/C9H19ClO/c1-2-3-4-5-6-7-8-11-9-10/h2-9H2,1H3
InChIKey
YUMNZEWYPUBSQA-UHFFFAOYSA-N
Compound name
1-(chloromethoxy)octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

406
Patents

178.11244 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11972 141.2
[M+Na]+ 201.10166 147.9
[M-H]- 177.10516 140.7
[M+NH4]+ 196.14626 162.4
[M+K]+ 217.07560 145.3
[M+H-H2O]+ 161.10970 137.1
[M+HCOO]- 223.11064 159.7
[M+CH3COO]- 237.12629 182.3
[M+Na-2H]- 199.08711 146.3
[M]+ 178.11189 146.8
[M]- 178.11299 146.8
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