CID 18621

Dimethyl p-(methylthio)phenyl phosphate

Structural Information

Molecular Formula
C9H13O4PS
SMILES
COP(=O)(OC)OC1=CC=C(C=C1)SC
InChI
InChI=1S/C9H13O4PS/c1-11-14(10,12-2)13-8-4-6-9(15-3)7-5-8/h4-7H,1-3H3
InChIKey
BUDNNLHZOCBLAU-UHFFFAOYSA-N
Compound name
dimethyl (4-methylsulfanylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

0
References

104
Patents

248.02722 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.03450 150.5
[M+Na]+ 271.01644 158.5
[M-H]- 247.01994 153.4
[M+NH4]+ 266.06104 169.0
[M+K]+ 286.99038 157.4
[M+H-H2O]+ 231.02448 142.1
[M+HCOO]- 293.02542 174.9
[M+CH3COO]- 307.04107 190.9
[M+Na-2H]- 269.00189 152.3
[M]+ 248.02667 158.6
[M]- 248.02777 158.6
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.