CID 227733

Nsc19707

Structural Information

Molecular Formula
C13H19O4P
SMILES
CCC1(COP(=O)(OC1)OC2=CC=CC=C2)CC
InChI
InChI=1S/C13H19O4P/c1-3-13(4-2)10-15-18(14,16-11-13)17-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKey
PNNAULSXNNXBGX-UHFFFAOYSA-N
Compound name
5,5-diethyl-2-phenoxy-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

270.10208 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10936 161.4
[M+Na]+ 293.09130 167.9
[M-H]- 269.09480 167.9
[M+NH4]+ 288.13590 179.2
[M+K]+ 309.06524 169.2
[M+H-H2O]+ 253.09934 152.6
[M+HCOO]- 315.10028 186.0
[M+CH3COO]- 329.11593 195.1
[M+Na-2H]- 291.07675 166.5
[M]+ 270.10153 164.4
[M]- 270.10263 164.4
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