CID 118427

33267-37-7

Structural Information

Molecular Formula
C10H15O5PS
SMILES
CCP(=O)(OC)OC1=CC=C(C=C1)S(=O)(=O)C
InChI
InChI=1S/C10H15O5PS/c1-4-16(11,14-2)15-9-5-7-10(8-6-9)17(3,12)13/h5-8H,4H2,1-3H3
InChIKey
KULCGIYIYPVRSM-UHFFFAOYSA-N
Compound name
1-[ethyl(methoxy)phosphoryl]oxy-4-methylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.03778 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04506 157.2
[M+Na]+ 301.02700 165.3
[M-H]- 277.03050 160.1
[M+NH4]+ 296.07160 174.3
[M+K]+ 317.00094 163.9
[M+H-H2O]+ 261.03504 149.0
[M+HCOO]- 323.03598 180.2
[M+CH3COO]- 337.05163 194.7
[M+Na-2H]- 299.01245 160.1
[M]+ 278.03723 165.0
[M]- 278.03833 165.0
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.