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

44684
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

literature stripe

Patent stripe

patents stripe