CID 76886

Arsim

Structural Information

Molecular Formula
C16H20O6P2S4
SMILES
COP(=S)(OC)OC1=CC=C(C=C1)SSC2=CC=C(C=C2)OP(=S)(OC)OC
InChI
InChI=1S/C16H20O6P2S4/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-28-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3
InChIKey
NCPYQDKEACAFNC-UHFFFAOYSA-N
Compound name
[4-[(4-dimethoxyphosphinothioyloxyphenyl)disulfanyl]phenoxy]-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

497.9618 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.96908 185.9
[M+Na]+ 520.95102 193.2
[M+NH4]+ 515.99562 191.2
[M+K]+ 536.92496 184.0
[M-H]- 496.95452 186.8
[M+Na-2H]- 518.93647 189.9
[M]+ 497.96125 188.8
[M]- 497.96235 188.8
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

patents stripe