CID 85084

15761-96-3

Structural Information

Molecular Formula
C12H17O3P
SMILES
CC1(COP(=O)(OC1)CC2=CC=CC=C2)C
InChI
InChI=1S/C12H17O3P/c1-12(2)9-14-16(13,15-10-12)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKey
QULASSAQFUJMIP-UHFFFAOYSA-N
Compound name
2-benzyl-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

240.09154 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.098816 153.9
[M+Na]+ 263.080758 161.0
[M-H]- 239.084264 160.7
[M+NH4]+ 258.125363 173.1
[M+K]+ 279.054698 161.9
[M+H-H2O]+ 223.088800 145.6
[M+HCOO]- 285.089741 178.7
[M+CH3COO]- 299.105391 189.9
[M+Na-2H]- 261.066206 159.3
[M]+ 240.09099142 155.2
[M]- 240.09208858 155.2
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