CID 53427790

1,3,5,7-tetramethyl-6-phenyl-2,4,8-trioxa-6-phosphaadamantane

Structural Information

Molecular Formula
C16H21O3P
SMILES
CC12CC3(OC(O1)(CC(O2)(P3C4=CC=CC=C4)C)C)C
InChI
InChI=1S/C16H21O3P/c1-13-10-15(3)19-14(2,17-13)11-16(4,18-13)20(15)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3
InChIKey
AVVSJWUWBATQBX-UHFFFAOYSA-N
Compound name
1,3,5,7-tetramethyl-8-phenyl-2,4,6-trioxa-8-phosphatricyclo[3.3.1.13,7]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

795
Patents

292.12283 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13011 166.8
[M+Na]+ 315.11205 173.0
[M-H]- 291.11555 167.2
[M+NH4]+ 310.15665 191.2
[M+K]+ 331.08599 173.4
[M+H-H2O]+ 275.12009 154.0
[M+HCOO]- 337.12103 176.4
[M+CH3COO]- 351.13668 176.3
[M+Na-2H]- 313.09750 177.5
[M]+ 292.12228 173.0
[M]- 292.12338 173.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe