CID 6335208

Dimethyl thiophosphonate

Structural Information

Molecular Formula
C2H6O2PS
SMILES
CO[P+](=S)OC
InChI
InChI=1S/C2H6O2PS/c1-3-5(6)4-2/h1-2H3/q+1
InChIKey
UXMJSMBVGAPGFC-UHFFFAOYSA-N
Compound name
dimethoxy(sulfanylidene)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

169
Patents

124.98261 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.98989 116.8
[M+Na]+ 147.97183 125.3
[M-H]- 123.97533 117.3
[M+NH4]+ 143.01643 140.0
[M+K]+ 163.94577 120.4
[M+H-H2O]+ 107.97987 113.1
[M+HCOO]- 169.98081 141.5
[M+CH3COO]- 183.99646 163.1
[M+Na-2H]- 145.95728 120.5
[M]+ 124.98206 120.2
[M]- 124.98316 120.2
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