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

21
Patents

497.9618 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.969076 195.4
[M+Na]+ 520.951018 198.8
[M-H]- 496.954524 196.2
[M+NH4]+ 515.995623 202.5
[M+K]+ 536.924958 191.5
[M+H-H2O]+ 480.959060 181.1
[M+HCOO]- 542.960001 207.9
[M+CH3COO]- 556.975651 231.9
[M+Na-2H]- 518.936466 195.9
[M]+ 497.96125142 199.6
[M]- 497.96234858 199.6
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

patents stripe