CID 25670

Terbufos

Structural Information

Molecular Formula
C9H21O2PS3
SMILES
CCOP(=S)(OCC)SCSC(C)(C)C
InChI
InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3
InChIKey
XLNZEKHULJKQBA-UHFFFAOYSA-N
Compound name
tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

117
References

38669
Patents

288.04413 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05141 161.3
[M+Na]+ 311.03335 166.4
[M-H]- 287.03685 159.0
[M+NH4]+ 306.07795 177.7
[M+K]+ 327.00729 161.5
[M+H-H2O]+ 271.04139 152.4
[M+HCOO]- 333.04233 170.5
[M+CH3COO]- 347.05798 200.2
[M+Na-2H]- 309.01880 158.6
[M]+ 288.04358 166.6
[M]- 288.04468 166.6
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.