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 195.4
[M+Na]+ 520.95102 198.8
[M-H]- 496.95452 196.2
[M+NH4]+ 515.99562 202.5
[M+K]+ 536.92496 191.5
[M+H-H2O]+ 480.95906 181.1
[M+HCOO]- 542.96000 207.9
[M+CH3COO]- 556.97565 231.9
[M+Na-2H]- 518.93647 195.9
[M]+ 497.96125 199.6
[M]- 497.96235 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