CID 76464

5,5-dimethyl-2-phenoxy-1,3,2-dioxaphosphinane

Structural Information

Molecular Formula
C11H15O3P
SMILES
CC1(COP(OC1)OC2=CC=CC=C2)C
InChI
InChI=1S/C11H15O3P/c1-11(2)8-12-15(13-9-11)14-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey
JSVDMQKVGLGYCM-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-phenoxy-1,3,2-dioxaphosphinane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

187
Patents

226.07588 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08316 152.1
[M+Na]+ 249.06510 158.3
[M-H]- 225.06860 158.6
[M+NH4]+ 244.10970 169.8
[M+K]+ 265.03904 159.6
[M+H-H2O]+ 209.07314 143.2
[M+HCOO]- 271.07408 177.0
[M+CH3COO]- 285.08973 187.9
[M+Na-2H]- 247.05055 156.6
[M]+ 226.07533 153.2
[M]- 226.07643 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe