CID 6328050

Di-tert-butylphosphine oxide

Structural Information

Molecular Formula
C8H18OP
SMILES
CC(C)(C)[P+](=O)C(C)(C)C
InChI
InChI=1S/C8H18OP/c1-7(2,3)10(9)8(4,5)6/h1-6H3/q+1
InChIKey
QQSIRURWBGEHFS-UHFFFAOYSA-N
Compound name
ditert-butyl(oxo)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

289
Patents

161.10953 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.11681 139.0
[M+Na]+ 184.09875 146.5
[M-H]- 160.10225 139.2
[M+NH4]+ 179.14335 161.0
[M+K]+ 200.07269 141.4
[M+H-H2O]+ 144.10679 136.6
[M+HCOO]- 206.10773 163.7
[M+CH3COO]- 220.12338 174.5
[M+Na-2H]- 182.08420 145.0
[M]+ 161.10898 140.6
[M]- 161.11008 140.6
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