CID 340819

85318-38-3

Structural Information

Molecular Formula
C11H13O3PSe
SMILES
CC1(C(=CP(=O)(O1)O)[Se]C2=CC=CC=C2)C
InChI
InChI=1S/C11H13O3PSe/c1-11(2)10(8-15(12,13)14-11)16-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)
InChIKey
AUANPSPCEOAWMC-UHFFFAOYSA-N
Compound name
2-hydroxy-5,5-dimethyl-4-phenylselanyl-1,2lambda5-oxaphosphole 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.97675 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.98403 162.0
[M+Na]+ 326.96597 170.8
[M-H]- 302.96947 167.3
[M+NH4]+ 322.01057 183.5
[M+K]+ 342.93991 169.0
[M+H-H2O]+ 286.97401 154.4
[M+HCOO]- 348.97495 189.2
[M+CH3COO]- 362.99060 189.8
[M+Na-2H]- 324.95142 164.3
[M]+ 303.97620 164.8
[M]- 303.97730 164.8
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

No patent data available for this compound.