CID 5937429

Nsc 302090

Structural Information

Molecular Formula
C28H26PS
SMILES
C/C(=C/C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/SC4=CC=CC=C4
InChI
InChI=1S/C28H26PS/c1-24(30-28-20-12-5-13-21-28)22-23-29(25-14-6-2-7-15-25,26-16-8-3-9-17-26)27-18-10-4-11-19-27/h2-22H,23H2,1H3/q+1/b24-22-
InChIKey
IEZRSNDJMOILSW-GYHWCHFESA-N
Compound name
triphenyl-[(Z)-3-phenylsulfanylbut-2-enyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.1493 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.15658 208.2
[M+Na]+ 448.13852 210.8
[M-H]- 424.14202 217.9
[M+NH4]+ 443.18312 217.1
[M+K]+ 464.11246 197.2
[M+H-H2O]+ 408.14656 197.3
[M+HCOO]- 470.14750 227.6
[M+CH3COO]- 484.16315 219.3
[M+Na-2H]- 446.12397 208.2
[M]+ 425.14875 205.5
[M]- 425.14985 205.5
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.