CID 16122526

2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate

Structural Information

Molecular Formula
C9H11F3NO7PS
SMILES
C1=CC(=CC=C1OC(F)(F)F)S(=O)(=O)NCCOP(=O)(O)O
InChI
InChI=1S/C9H11F3NO7PS/c10-9(11,12)20-7-1-3-8(4-2-7)22(17,18)13-5-6-19-21(14,15)16/h1-4,13H,5-6H2,(H2,14,15,16)
InChIKey
JDDKDMFCTOZVCJ-UHFFFAOYSA-N
Compound name
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.9946 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.00188 169.2
[M+Na]+ 387.98382 175.2
[M-H]- 363.98732 164.8
[M+NH4]+ 383.02842 180.1
[M+K]+ 403.95776 172.8
[M+H-H2O]+ 347.99186 158.0
[M+HCOO]- 409.99280 185.9
[M+CH3COO]- 424.00845 204.5
[M+Na-2H]- 385.96927 173.2
[M]+ 364.99405 170.3
[M]- 364.99515 170.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.