CID 170488

2-(4-chlorobutoxy)tetrahydro-2h-pyran

Structural Information

Molecular Formula
C9H17ClO2
SMILES
C1CCOC(C1)OCCCCCl
InChI
InChI=1S/C9H17ClO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h9H,1-8H2
InChIKey
SZZINZURZKQZLG-UHFFFAOYSA-N
Compound name
2-(4-chlorobutoxy)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

256
Patents

192.0917 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09898 142.2
[M+Na]+ 215.08092 147.2
[M-H]- 191.08442 145.1
[M+NH4]+ 210.12552 161.1
[M+K]+ 231.05486 146.0
[M+H-H2O]+ 175.08896 137.1
[M+HCOO]- 237.08990 157.4
[M+CH3COO]- 251.10555 180.3
[M+Na-2H]- 213.06637 147.9
[M]+ 192.09115 143.2
[M]- 192.09225 143.2
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