CID 124202925

Exo-2-naphthyl kwon [2.2.1] bicyclic phosphine

Structural Information

Molecular Formula
C22H22NO2PS
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC3CC2CP3C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C22H22NO2PS/c1-16-6-10-22(11-7-16)27(24,25)23-14-21-13-19(23)15-26(21)20-9-8-17-4-2-3-5-18(17)12-20/h2-12,19,21H,13-15H2,1H3
InChIKey
SJQXCVUHXMHJMD-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)sulfonyl-5-naphthalen-2-yl-2-aza-5-phosphabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1109 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.11818 191.7
[M+Na]+ 418.10012 199.5
[M-H]- 394.10362 199.7
[M+NH4]+ 413.14472 208.7
[M+K]+ 434.07406 194.0
[M+H-H2O]+ 378.10816 182.7
[M+HCOO]- 440.10910 209.7
[M+CH3COO]- 454.12475 201.7
[M+Na-2H]- 416.08557 188.1
[M]+ 395.11035 193.8
[M]- 395.11145 193.8
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.