CID 9039

152-20-5

Structural Information

Molecular Formula
C3H9O3PS
SMILES
COP(=O)(OC)SC
InChI
InChI=1S/C3H9O3PS/c1-5-7(4,6-2)8-3/h1-3H3
InChIKey
WTUNGUOZHBRADH-UHFFFAOYSA-N
Compound name
[methoxy(methylsulfanyl)phosphoryl]oxymethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

50
References

572
Patents

156.001 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.00828 128.3
[M+Na]+ 178.99022 136.7
[M-H]- 154.99372 128.2
[M+NH4]+ 174.03482 150.6
[M+K]+ 194.96416 137.2
[M+H-H2O]+ 138.99826 121.7
[M+HCOO]- 200.99920 152.5
[M+CH3COO]- 215.01485 174.4
[M+Na-2H]- 176.97567 130.8
[M]+ 156.00045 135.1
[M]- 156.00155 135.1
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