CID 498150

Nsc245397

Structural Information

Molecular Formula
C22H22P
SMILES
CC1CC[P+](C2=CC=CC=C12)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H22P/c1-18-16-17-23(19-10-4-2-5-11-19,20-12-6-3-7-13-20)22-15-9-8-14-21(18)22/h2-15,18H,16-17H2,1H3/q+1
InChIKey
IOHVUQKLAGAQKP-UHFFFAOYSA-N
Compound name
4-methyl-1,1-diphenyl-3,4-dihydro-2H-phosphinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1459 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.15318 183.5
[M+Na]+ 340.13512 188.9
[M-H]- 316.13862 192.2
[M+NH4]+ 335.17972 200.0
[M+K]+ 356.10906 177.1
[M+H-H2O]+ 300.14316 173.5
[M+HCOO]- 362.14410 207.4
[M+CH3COO]- 376.15975 202.8
[M+Na-2H]- 338.12057 186.8
[M]+ 317.14535 178.8
[M]- 317.14645 178.8
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.