CID 167253

Phosphorothioate

Structural Information

Molecular Formula
O3PS
SMILES
[O-]P(=S)([O-])[O-]
InChI
InChI=1S/H3O3PS/c1-4(2,3)5/h(H3,1,2,3,5)/p-3
InChIKey
RYYWUUFWQRZTIU-UHFFFAOYSA-K
Compound name
thiophosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

288
References

43227
Patents

110.93058 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.93786 118.8
[M+Na]+ 133.91980 127.1
[M-H]- 109.92330 115.1
[M+NH4]+ 128.96440 139.9
[M+K]+ 149.89374 128.5
[M+H-H2O]+ 93.927840 119.9
[M+HCOO]- 155.92878 141.5
[M+CH3COO]- 169.94443 159.3
[M+Na-2H]- 131.90525 120.6
[M]+ 110.93003 117.2
[M]- 110.93113 117.2
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.