CID 21007

Demeton-o sulfone

Structural Information

Molecular Formula
C8H19O5PS2
SMILES
CCOP(=S)(OCC)OCCS(=O)(=O)CC
InChI
InChI=1S/C8H19O5PS2/c1-4-11-14(15,12-5-2)13-7-8-16(9,10)6-3/h4-8H2,1-3H3
InChIKey
GZJFADYLHPWSII-UHFFFAOYSA-N
Compound name
diethoxy-(2-ethylsulfonylethoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

290.04117 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.04845 160.9
[M+Na]+ 313.03039 166.8
[M-H]- 289.03389 159.4
[M+NH4]+ 308.07499 177.3
[M+K]+ 329.00433 164.4
[M+H-H2O]+ 273.03843 152.6
[M+HCOO]- 335.03937 177.4
[M+CH3COO]- 349.05502 196.6
[M+Na-2H]- 311.01584 160.9
[M]+ 290.04062 170.3
[M]- 290.04172 170.3
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

patents stripe