CID 3085571

2-((10-chloro-3-decynyl)oxy)tetrahydro-2h-pyran

Structural Information

Molecular Formula
C15H25ClO2
SMILES
C1CCO[C@@H](C1)OCCC#CCCCCCCCl
InChI
InChI=1S/C15H25ClO2/c16-12-8-5-3-1-2-4-6-9-13-17-15-11-7-10-14-18-15/h15H,1-3,5,7-14H2/t15-/m0/s1
InChIKey
PFKZTZZEEPSIAA-HNNXBMFYSA-N
Compound name
(2R)-2-(10-chlorodec-3-ynoxy)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1543 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.16158 158.5
[M+Na]+ 295.14352 165.0
[M-H]- 271.14702 159.5
[M+NH4]+ 290.18812 172.7
[M+K]+ 311.11746 159.9
[M+H-H2O]+ 255.15156 146.8
[M+HCOO]- 317.15250 167.5
[M+CH3COO]- 331.16815 201.9
[M+Na-2H]- 293.12897 161.2
[M]+ 272.15375 155.6
[M]- 272.15485 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.