CID 14671598

Terbufos oxon sulfone

Structural Information

Molecular Formula
C9H21O5PS2
SMILES
CCOP(=O)(OCC)SCS(=O)(=O)C(C)(C)C
InChI
InChI=1S/C9H21O5PS2/c1-6-13-15(10,14-7-2)16-8-17(11,12)9(3,4)5/h6-8H2,1-5H3
InChIKey
HXIFYKRJAGQAHM-UHFFFAOYSA-N
Compound name
2-(diethoxyphosphorylsulfanylmethylsulfonyl)-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6
Patents

304.0568 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06408 166.5
[M+Na]+ 327.04602 172.2
[M-H]- 303.04952 165.1
[M+NH4]+ 322.09062 182.4
[M+K]+ 343.01996 170.2
[M+H-H2O]+ 287.05406 158.5
[M+HCOO]- 349.05500 181.2
[M+CH3COO]- 363.07065 199.4
[M+Na-2H]- 325.03147 167.6
[M]+ 304.05625 175.5
[M]- 304.05735 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

patents stripe