CID 114253

Stauffer b-8778

Structural Information

Molecular Formula
C9H21ClO5P2S
SMILES
CCOP(=O)(OCC)OP(=S)(CCl)OCC(C)C
InChI
InChI=1S/C9H21ClO5P2S/c1-5-12-17(11,13-6-2)15-16(18,8-10)14-7-9(3)4/h9H,5-8H2,1-4H3
InChIKey
XIIGQYHQBUYJCV-UHFFFAOYSA-N
Compound name
[chloromethyl(2-methylpropoxy)phosphinothioyl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.02734 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.03462 170.2
[M+Na]+ 361.01656 176.4
[M-H]- 337.02006 168.8
[M+NH4]+ 356.06116 186.6
[M+K]+ 376.99050 174.6
[M+H-H2O]+ 321.02460 161.5
[M+HCOO]- 383.02554 192.1
[M+CH3COO]- 397.04119 207.5
[M+Na-2H]- 359.00201 168.9
[M]+ 338.02679 183.3
[M]- 338.02789 183.3
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.