CID 209684

3-phospholene, 1-(octyloxy)-, 1-oxide

Structural Information

Molecular Formula
C12H23O2P
SMILES
CCCCCCCCOP1(=O)CC=CC1
InChI
InChI=1S/C12H23O2P/c1-2-3-4-5-6-7-10-14-15(13)11-8-9-12-15/h8-9H,2-7,10-12H2,1H3
InChIKey
LJYKHZWERBQMFQ-UHFFFAOYSA-N
Compound name
1-octoxy-2,5-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.14357 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.15085 157.1
[M+Na]+ 253.13279 162.6
[M-H]- 229.13629 158.6
[M+NH4]+ 248.17739 179.3
[M+K]+ 269.10673 160.8
[M+H-H2O]+ 213.14083 149.4
[M+HCOO]- 275.14177 185.6
[M+CH3COO]- 289.15742 190.7
[M+Na-2H]- 251.11824 157.8
[M]+ 230.14302 161.3
[M]- 230.14412 161.3
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.