CID 8952

Morphothion

Structural Information

Molecular Formula
C8H16NO4PS2
SMILES
COP(=S)(OC)SCC(=O)N1CCOCC1
InChI
InChI=1S/C8H16NO4PS2/c1-11-14(15,12-2)16-7-8(10)9-3-5-13-6-4-9/h3-7H2,1-2H3
InChIKey
NTHGWXIWFHGPLK-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphinothioylsulfanyl-1-morpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5392
Patents

285.02585 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.03313 156.7
[M+Na]+ 308.01507 160.9
[M-H]- 284.01857 157.1
[M+NH4]+ 303.05967 170.6
[M+K]+ 323.98901 160.1
[M+H-H2O]+ 268.02311 147.7
[M+HCOO]- 330.02405 169.3
[M+CH3COO]- 344.03970 194.4
[M+Na-2H]- 306.00052 155.3
[M]+ 285.02530 159.6
[M]- 285.02640 159.6
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.