CID 10889568

1,3,2-dioxaphosphorinane, 5-butyl-2-chloro-5-ethyl-

Structural Information

Molecular Formula
C9H18ClO2P
SMILES
CCCCC1(COP(OC1)Cl)CC
InChI
InChI=1S/C9H18ClO2P/c1-3-5-6-9(4-2)7-11-13(10)12-8-9/h3-8H2,1-2H3
InChIKey
QKTZNSMZBXMJGO-UHFFFAOYSA-N
Compound name
5-butyl-2-chloro-5-ethyl-1,3,2-dioxaphosphinane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

224.07329 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08057 152.0
[M+Na]+ 247.06251 158.6
[M-H]- 223.06601 155.1
[M+NH4]+ 242.10711 171.3
[M+K]+ 263.03645 158.3
[M+H-H2O]+ 207.07055 145.7
[M+HCOO]- 269.07149 171.4
[M+CH3COO]- 283.08714 188.0
[M+Na-2H]- 245.04796 155.3
[M]+ 224.07274 155.7
[M]- 224.07384 155.7
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