CID 494152

Nsc152782

Structural Information

Molecular Formula
C22H26P
SMILES
CC1=C[P+](C=C1C)(CCC2=CC=CC=C2)CCC3=CC=CC=C3
InChI
InChI=1S/C22H26P/c1-19-17-23(18-20(19)2,15-13-21-9-5-3-6-10-21)16-14-22-11-7-4-8-12-22/h3-12,17-18H,13-16H2,1-2H3/q+1
InChIKey
KSULLKDJOYRWFT-UHFFFAOYSA-N
Compound name
3,4-dimethyl-1,1-bis(2-phenylethyl)phosphol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.17722 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18450 185.8
[M+Na]+ 344.16644 192.0
[M-H]- 320.16994 194.3
[M+NH4]+ 339.21104 203.7
[M+K]+ 360.14038 180.5
[M+H-H2O]+ 304.17448 177.5
[M+HCOO]- 366.17542 214.0
[M+CH3COO]- 380.19107 204.1
[M+Na-2H]- 342.15189 186.4
[M]+ 321.17667 186.4
[M]- 321.17777 186.4
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.