CID 70167

1,3,2-dioxaphosphorinane, 5,5-dimethyl-2-phenoxy-, 2-oxide

Structural Information

Molecular Formula
C11H15O4P
SMILES
CC1(COP(=O)(OC1)OC2=CC=CC=C2)C
InChI
InChI=1S/C11H15O4P/c1-11(2)8-13-16(12,14-9-11)15-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey
VSKVZTVOVPEFOH-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-phenoxy-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

242.0708 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07808 151.9
[M+Na]+ 265.06002 159.3
[M-H]- 241.06352 158.9
[M+NH4]+ 260.10462 170.9
[M+K]+ 281.03396 161.0
[M+H-H2O]+ 225.06806 143.6
[M+HCOO]- 287.06900 177.3
[M+CH3COO]- 301.08465 189.1
[M+Na-2H]- 263.04547 158.1
[M]+ 242.07025 154.3
[M]- 242.07135 154.3
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