CID 498383

68629-95-8

Structural Information

Molecular Formula
C19H34O4PS2
SMILES
CCCC[P+](CCCC)(CCCC)C1SC(=C(S1)C(=O)OC)C(=O)OC
InChI
InChI=1S/C19H34O4PS2/c1-6-9-12-24(13-10-7-2,14-11-8-3)19-25-15(17(20)22-4)16(26-19)18(21)23-5/h19H,6-14H2,1-5H3/q+1
InChIKey
KUJUZERYGCCJPS-UHFFFAOYSA-N
Compound name
[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-yl]-tributylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

421.1636 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.17088 198.3
[M+Na]+ 444.15282 200.8
[M-H]- 420.15632 199.4
[M+NH4]+ 439.19742 211.5
[M+K]+ 460.12676 192.0
[M+H-H2O]+ 404.16086 192.0
[M+HCOO]- 466.16180 211.2
[M+CH3COO]- 480.17745 218.2
[M+Na-2H]- 442.13827 192.5
[M]+ 421.16305 206.1
[M]- 421.16415 206.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.