CID 116764

2h-pyran, 2-((10-chlorodecyl)oxy)tetrahydro-

Structural Information

Molecular Formula
C15H29ClO2
SMILES
C1CCOC(C1)OCCCCCCCCCCCl
InChI
InChI=1S/C15H29ClO2/c16-12-8-5-3-1-2-4-6-9-13-17-15-11-7-10-14-18-15/h15H,1-14H2
InChIKey
KXRIMFNWSQWCPH-UHFFFAOYSA-N
Compound name
2-(10-chlorodecoxy)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

276.1856 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19288 170.0
[M+Na]+ 299.17482 172.5
[M-H]- 275.17832 171.7
[M+NH4]+ 294.21942 185.4
[M+K]+ 315.14876 169.6
[M+H-H2O]+ 259.18286 163.6
[M+HCOO]- 321.18380 183.1
[M+CH3COO]- 335.19945 198.2
[M+Na-2H]- 297.16027 172.4
[M]+ 276.18505 173.2
[M]- 276.18615 173.2
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

patents stripe