CID 219001

Phosphorothioic acid, o-cyclohexyl o,s-dimethyl ester

Structural Information

Molecular Formula
C8H17O3PS
SMILES
COP(=O)(OC1CCCCC1)SC
InChI
InChI=1S/C8H17O3PS/c1-10-12(9,13-2)11-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKey
URBFGHZYNPEYKC-UHFFFAOYSA-N
Compound name
[methoxy(methylsulfanyl)phosphoryl]oxycyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.0636 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.070876 147.6
[M+Na]+ 247.052818 152.3
[M-H]- 223.056324 149.2
[M+NH4]+ 242.097423 166.7
[M+K]+ 263.026758 151.7
[M+H-H2O]+ 207.060860 139.6
[M+HCOO]- 269.061801 167.9
[M+CH3COO]- 283.077451 185.8
[M+Na-2H]- 245.038266 147.7
[M]+ 224.06305142 149.5
[M]- 224.06414858 149.5
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.