CID 498146

Nsc245390

Structural Information

Molecular Formula
C23H24P
SMILES
CC1CC[P+](CC2=CC=CC=C12)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H24P/c1-19-16-17-24(21-11-4-2-5-12-21,22-13-6-3-7-14-22)18-20-10-8-9-15-23(19)20/h2-15,19H,16-18H2,1H3/q+1
InChIKey
OYXJKZRLVNLLQI-UHFFFAOYSA-N
Compound name
5-methyl-2,2-diphenyl-1,3,4,5-tetrahydro-2-benzophosphepin-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.16156 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16884 190.5
[M+Na]+ 354.15078 194.6
[M-H]- 330.15428 200.0
[M+NH4]+ 349.19538 205.6
[M+K]+ 370.12472 186.7
[M+H-H2O]+ 314.15882 183.1
[M+HCOO]- 376.15976 213.3
[M+CH3COO]- 390.17541 206.1
[M+Na-2H]- 352.13623 192.6
[M]+ 331.16101 183.4
[M]- 331.16211 183.4
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.