CID 175840

O-methyl s,s-bis(1-methylethyl) dithiophosphate

Structural Information

Molecular Formula
C7H17O2PS2
SMILES
CC(C)SP(=O)(OC)SC(C)C
InChI
InChI=1S/C7H17O2PS2/c1-6(2)11-10(8,9-5)12-7(3)4/h6-7H,1-5H3
InChIKey
HHFGBTPFKQMYEB-UHFFFAOYSA-N
Compound name
2-[methoxy(propan-2-ylsulfanyl)phosphoryl]sulfanylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.04076 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04804 146.2
[M+Na]+ 251.02998 151.9
[M-H]- 227.03348 145.2
[M+NH4]+ 246.07458 165.4
[M+K]+ 267.00392 150.2
[M+H-H2O]+ 211.03802 138.4
[M+HCOO]- 273.03896 161.2
[M+CH3COO]- 287.05461 190.8
[M+Na-2H]- 249.01543 142.5
[M]+ 228.04021 152.0
[M]- 228.04131 152.0
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.