CID 83414

Phosphonodithioic acid, methyl-, anhydride, dipropyl ester

Structural Information

Molecular Formula
C8H20OP2S4
SMILES
CCCSP(=S)(C)OP(=S)(C)SCCC
InChI
InChI=1S/C8H20OP2S4/c1-5-7-14-10(3,12)9-11(4,13)15-8-6-2/h5-8H2,1-4H3
InChIKey
CQTQMQWOMRUBPN-UHFFFAOYSA-N
Compound name
methyl-[methyl(propylsulfanyl)phosphinothioyl]oxy-propylsulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.9872 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.99448 161.3
[M+Na]+ 344.97642 165.7
[M-H]- 320.97992 157.0
[M+NH4]+ 340.02102 175.7
[M+K]+ 360.95036 157.7
[M+H-H2O]+ 304.98446 148.9
[M+HCOO]- 366.98540 170.9
[M+CH3COO]- 381.00105 207.7
[M+Na-2H]- 342.96187 156.6
[M]+ 321.98665 161.7
[M]- 321.98775 161.7
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.