CID 12022244

Bis(3,5-dimethylphenyl)phosphine oxide

Structural Information

Molecular Formula
C16H18OP
SMILES
CC1=CC(=CC(=C1)[P+](=O)C2=CC(=CC(=C2)C)C)C
InChI
InChI=1S/C16H18OP/c1-11-5-12(2)8-15(7-11)18(17)16-9-13(3)6-14(4)10-16/h5-10H,1-4H3/q+1
InChIKey
LMXRTXPFJNGAAX-UHFFFAOYSA-N
Compound name
bis(3,5-dimethylphenyl)-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

240
Patents

257.10953 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11681 161.5
[M+Na]+ 280.09875 170.2
[M-H]- 256.10225 168.1
[M+NH4]+ 275.14335 179.3
[M+K]+ 296.07269 161.0
[M+H-H2O]+ 240.10679 155.1
[M+HCOO]- 302.10773 189.2
[M+CH3COO]- 316.12338 194.7
[M+Na-2H]- 278.08420 162.7
[M]+ 257.10898 163.0
[M]- 257.11008 163.0
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