CID 9829482

98674-80-7

Structural Information

Molecular Formula
C11H15O4P
SMILES
CC1(COP(=O)(O[C@@H]1C2=CC=CC=C2)O)C
InChI
InChI=1S/C11H15O4P/c1-11(2)8-14-16(12,13)15-10(11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKey
PSZSDCWNBXVDFG-SNVBAGLBSA-N
Compound name
(4R)-2-hydroxy-5,5-dimethyl-4-phenyl-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

242.0708 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07808 152.4
[M+Na]+ 265.06002 160.3
[M-H]- 241.06352 158.4
[M+NH4]+ 260.10462 171.1
[M+K]+ 281.03396 161.2
[M+H-H2O]+ 225.06806 144.7
[M+HCOO]- 287.06900 176.2
[M+CH3COO]- 301.08465 187.8
[M+Na-2H]- 263.04547 157.6
[M]+ 242.07025 153.4
[M]- 242.07135 153.4
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