CID 298837

Nsc171175

Structural Information

Molecular Formula
C14H21O4P
SMILES
CC(C)(C)C1COP(=O)(OC1)OCC2=CC=CC=C2
InChI
InChI=1S/C14H21O4P/c1-14(2,3)13-10-17-19(15,18-11-13)16-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChIKey
NPDPCOCGIVQRKL-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-phenylmethoxy-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.11774 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12502 167.8
[M+Na]+ 307.10696 173.3
[M-H]- 283.11046 174.0
[M+NH4]+ 302.15156 183.2
[M+K]+ 323.08090 174.5
[M+H-H2O]+ 267.11500 158.9
[M+HCOO]- 329.11594 190.6
[M+CH3COO]- 343.13159 198.1
[M+Na-2H]- 305.09241 172.1
[M]+ 284.11719 170.2
[M]- 284.11829 170.2
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

No patent data available for this compound.