CID 184006

Phosphonothioic acid, ethyl-, o,s-dimethyl ester

Structural Information

Molecular Formula
C4H11O2PS
SMILES
CCP(=O)(OC)SC
InChI
InChI=1S/C4H11O2PS/c1-4-7(5,6-2)8-3/h4H2,1-3H3
InChIKey
ZEOAMTWWLDATMW-UHFFFAOYSA-N
Compound name
1-[methoxy(methylsulfanyl)phosphoryl]ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.02174 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.02902 130.0
[M+Na]+ 177.01096 138.1
[M-H]- 153.01446 129.8
[M+NH4]+ 172.05556 152.4
[M+K]+ 192.98490 137.9
[M+H-H2O]+ 137.01900 123.4
[M+HCOO]- 199.01994 153.7
[M+CH3COO]- 213.03559 175.4
[M+Na-2H]- 174.99641 131.7
[M]+ 154.02119 135.7
[M]- 154.02229 135.7
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.