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
1
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]+ 241.09882 153.9
[M+Na]+ 263.08076 161.0
[M-H]- 239.08426 160.7
[M+NH4]+ 258.12536 173.1
[M+K]+ 279.05470 161.9
[M+H-H2O]+ 223.08880 145.6
[M+HCOO]- 285.08974 178.7
[M+CH3COO]- 299.10539 189.9
[M+Na-2H]- 261.06621 159.3
[M]+ 240.09099 155.2
[M]- 240.09209 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