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

42
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

literature stripe

Patent stripe

patents stripe