CID 16213082

98674-82-9

Structural Information

Molecular Formula
C12H17O5P
SMILES
CC1(COP(=O)(O[C@H]1C2=CC=CC=C2OC)O)C
InChI
InChI=1S/C12H17O5P/c1-12(2)8-16-18(13,14)17-11(12)9-6-4-5-7-10(9)15-3/h4-7,11H,8H2,1-3H3,(H,13,14)/t11-/m0/s1
InChIKey
HNFXKRNIAWHFJN-NSHDSACASA-N
Compound name
(4R)-2-hydroxy-4-(2-methoxyphenyl)-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

272.08136 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08864 158.6
[M+Na]+ 295.07058 166.8
[M-H]- 271.07408 164.7
[M+NH4]+ 290.11518 176.2
[M+K]+ 311.04452 168.2
[M+H-H2O]+ 255.07862 150.8
[M+HCOO]- 317.07956 182.2
[M+CH3COO]- 331.09521 194.3
[M+Na-2H]- 293.05603 163.0
[M]+ 272.08081 161.9
[M]- 272.08191 161.9
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