CID 11334887

(4s)-4-(2-chlorophenyl)-2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide

Structural Information

Molecular Formula
C11H14ClO4P
SMILES
CC1(COP(=O)(O[C@@H]1C2=CC=CC=C2Cl)O)C
InChI
InChI=1S/C11H14ClO4P/c1-11(2)7-15-17(13,14)16-10(11)8-5-3-4-6-9(8)12/h3-6,10H,7H2,1-2H3,(H,13,14)/t10-/m1/s1
InChIKey
ZPSPULCZMWMHCY-SNVBAGLBSA-N
Compound name
(4S)-4-(2-chlorophenyl)-2-hydroxy-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

276.03183 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.03911 155.2
[M+Na]+ 299.02105 164.9
[M-H]- 275.02455 161.6
[M+NH4]+ 294.06565 173.8
[M+K]+ 314.99499 163.9
[M+H-H2O]+ 259.02909 148.7
[M+HCOO]- 321.03003 174.7
[M+CH3COO]- 335.04568 192.8
[M+Na-2H]- 297.00650 159.7
[M]+ 276.03128 158.8
[M]- 276.03238 158.8
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