CID 4367869

Zinc;diheptoxy-sulfanylidene-sulfido-lambda5-phosphane

Structural Information

Molecular Formula
C14H31O2PS2
SMILES
CCCCCCCOP(=S)(OCCCCCCC)S
InChI
InChI=1S/C14H31O2PS2/c1-3-5-7-9-11-13-15-17(18,19)16-14-12-10-8-6-4-2/h3-14H2,1-2H3,(H,18,19)
InChIKey
KXKYPMWKQXTEEX-UHFFFAOYSA-N
Compound name
diheptoxy-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

223
Patents

326.1503 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15758 176.4
[M+Na]+ 349.13952 182.8
[M+NH4]+ 344.18412 182.7
[M+K]+ 365.11346 172.8
[M-H]- 325.14302 174.7
[M+Na-2H]- 347.12497 175.8
[M]+ 326.14975 177.5
[M]- 326.15085 177.5
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

patents stripe