CID 203307

Brn 2005805

Structural Information

Molecular Formula
C12H19O6PS
SMILES
CCOP(=O)(OCC)OC1=CC(=C(C=C1)S(=O)(=O)C)C
InChI
InChI=1S/C12H19O6PS/c1-5-16-19(13,17-6-2)18-11-7-8-12(10(3)9-11)20(4,14)15/h7-9H,5-6H2,1-4H3
InChIKey
XYHXRVYYEZNNPU-UHFFFAOYSA-N
Compound name
diethyl (3-methyl-4-methylsulfonylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.064 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.07128 169.8
[M+Na]+ 345.05322 178.9
[M+NH4]+ 340.09782 174.5
[M+K]+ 361.02716 174.1
[M-H]- 321.05672 167.8
[M+Na-2H]- 343.03867 172.6
[M]+ 322.06345 170.8
[M]- 322.06455 170.8
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.