CID 41718

Terbufos sulfone

Structural Information

Molecular Formula
C9H21O4PS3
SMILES
CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C
InChI
InChI=1S/C9H21O4PS3/c1-6-12-14(15,13-7-2)16-8-17(10,11)9(3,4)5/h6-8H2,1-5H3
InChIKey
DWZSTEUTHNUVQD-UHFFFAOYSA-N
Compound name
tert-butylsulfonylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

7
References

52
Patents

320.03397 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.04125 169.6
[M+Na]+ 343.02319 174.6
[M-H]- 319.02669 167.1
[M+NH4]+ 338.06779 184.3
[M+K]+ 358.99713 169.8
[M+H-H2O]+ 303.03123 160.8
[M+HCOO]- 365.03217 178.3
[M+CH3COO]- 379.04782 202.5
[M+Na-2H]- 341.00864 169.2
[M]+ 320.03342 175.5
[M]- 320.03452 175.5
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.