CID 74797

Diethyl (4-sulfamoylphenyl) phosphate

Structural Information

Molecular Formula
C10H16NO6PS
SMILES
CCOP(=O)(OCC)OC1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C10H16NO6PS/c1-3-15-18(12,16-4-2)17-9-5-7-10(8-6-9)19(11,13)14/h5-8H,3-4H2,1-2H3,(H2,11,13,14)
InChIKey
XTOFAPRXSMHBMO-UHFFFAOYSA-N
Compound name
diethyl (4-sulfamoylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

309.0436 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.05088 163.8
[M+Na]+ 332.03282 170.5
[M-H]- 308.03632 165.8
[M+NH4]+ 327.07742 178.7
[M+K]+ 348.00676 169.2
[M+H-H2O]+ 292.04086 154.8
[M+HCOO]- 354.04180 187.2
[M+CH3COO]- 368.05745 201.3
[M+Na-2H]- 330.01827 166.6
[M]+ 309.04305 171.0
[M]- 309.04415 171.0
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

patents stripe