CID 91953

2-((7-chloroheptyl)oxy)tetrahydro-2h-pyran

Structural Information

Molecular Formula
C12H23ClO2
SMILES
C1CCOC(C1)OCCCCCCCCl
InChI
InChI=1S/C12H23ClO2/c13-9-5-2-1-3-6-10-14-12-8-4-7-11-15-12/h12H,1-11H2
InChIKey
CBGSMMHEWYXIKA-UHFFFAOYSA-N
Compound name
2-(7-chloroheptoxy)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13866 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14594 156.2
[M+Na]+ 257.12788 159.9
[M-H]- 233.13138 158.5
[M+NH4]+ 252.17248 173.3
[M+K]+ 273.10182 157.9
[M+H-H2O]+ 217.13592 150.4
[M+HCOO]- 279.13686 170.3
[M+CH3COO]- 293.15251 189.3
[M+Na-2H]- 255.11333 160.2
[M]+ 234.13811 158.3
[M]- 234.13921 158.3
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

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No patent data available for this compound.