CID 91758

Fosthiazate

Structural Information

Molecular Formula
C9H18NO3PS2
SMILES
CCC(C)SP(=O)(N1CCSC1=O)OCC
InChI
InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3
InChIKey
DUFVKSUJRWYZQP-UHFFFAOYSA-N
Compound name
3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,3-thiazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

45
References

22754
Patents

283.04657 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05385 158.7
[M+Na]+ 306.03579 164.5
[M-H]- 282.03929 159.2
[M+NH4]+ 301.08039 176.2
[M+K]+ 322.00973 162.5
[M+H-H2O]+ 266.04383 150.5
[M+HCOO]- 328.04477 173.3
[M+CH3COO]- 342.06042 196.6
[M+Na-2H]- 304.02124 153.9
[M]+ 283.04602 163.1
[M]- 283.04712 163.1
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.