CID 198661

Phosphonothioic acid, ethyl-, o-methyl s-propyl ester

Structural Information

Molecular Formula
C6H15O2PS
SMILES
CCCSP(=O)(CC)OC
InChI
InChI=1S/C6H15O2PS/c1-4-6-10-9(7,5-2)8-3/h4-6H2,1-3H3
InChIKey
BFPKJCXDJWMOQX-UHFFFAOYSA-N
Compound name
1-[ethyl(methoxy)phosphoryl]sulfanylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.05304 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.060316 139.3
[M+Na]+ 205.042258 146.7
[M-H]- 181.045764 138.8
[M+NH4]+ 200.086863 160.7
[M+K]+ 221.016198 145.9
[M+H-H2O]+ 165.050300 132.3
[M+HCOO]- 227.051241 162.4
[M+CH3COO]- 241.066891 181.5
[M+Na-2H]- 203.027706 140.1
[M]+ 182.05249142 145.8
[M]- 182.05358858 145.8
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.