CID 9576712

Cl-52069

Structural Information

Molecular Formula
C5H10NO3PS2
SMILES
COP(=S)(/N=C/1\OCCS1)OC
InChI
InChI=1S/C5H10NO3PS2/c1-7-10(11,8-2)6-5-9-3-4-12-5/h3-4H2,1-2H3/b6-5+
InChIKey
ZXSAZCMRKXDRJV-AATRIKPKSA-N
Compound name
(E)-N-dimethoxyphosphinothioyl-1,3-oxathiolan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.98398 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.99126 142.5
[M+Na]+ 249.97320 149.4
[M-H]- 225.97670 146.6
[M+NH4]+ 245.01780 162.5
[M+K]+ 265.94714 149.2
[M+H-H2O]+ 209.98124 134.7
[M+HCOO]- 271.98218 162.4
[M+CH3COO]- 285.99783 187.0
[M+Na-2H]- 247.95865 142.8
[M]+ 226.98343 146.4
[M]- 226.98453 146.4
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.