CID 498381

Nsc627595

Structural Information

Molecular Formula
C24H22PS2
SMILES
C1CC2=C(C1)SC(S2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C24H22PS2/c1-4-11-19(12-5-1)25(20-13-6-2-7-14-20,21-15-8-3-9-16-21)24-26-22-17-10-18-23(22)27-24/h1-9,11-16,24H,10,17-18H2/q+1
InChIKey
HYBGWCRKBRKPSN-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-cyclopenta[d][1,3]dithiol-2-yl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.09006 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.09734 192.4
[M+Na]+ 428.07928 198.5
[M-H]- 404.08278 204.4
[M+NH4]+ 423.12388 208.2
[M+K]+ 444.05322 186.8
[M+H-H2O]+ 388.08732 185.8
[M+HCOO]- 450.08826 209.1
[M+CH3COO]- 464.10391 201.9
[M+Na-2H]- 426.06473 190.3
[M]+ 405.08951 190.1
[M]- 405.09061 190.1
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.