CID 119057668

Zinc o,o'-di(heptylphenyl)phosphorodithioate

Structural Information

Molecular Formula
C26H39O2PS2
SMILES
CCCCCC(C)C1=CC=CC=C1OP(=S)(OC2=CC=CC=C2C(C)CCCCC)S
InChI
InChI=1S/C26H39O2PS2/c1-5-7-9-15-21(3)23-17-11-13-19-25(23)27-29(30,31)28-26-20-14-12-18-24(26)22(4)16-10-8-6-2/h11-14,17-22H,5-10,15-16H2,1-4H3,(H,30,31)
InChIKey
YZZOMAKXHMTZHJ-UHFFFAOYSA-N
Compound name
bis(2-heptan-2-ylphenoxy)-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.21292 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.22020 211.2
[M+Na]+ 501.20214 221.1
[M+NH4]+ 496.24674 217.9
[M+K]+ 517.17608 209.8
[M-H]- 477.20564 214.5
[M+Na-2H]- 499.18759 216.1
[M]+ 478.21237 214.6
[M]- 478.21347 214.6
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.