CID 16122525

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

Structural Information

Molecular Formula
C10H11F3NO6P
SMILES
C1=CC(=CC=C1C(=O)NCCOP(=O)(O)O)OC(F)(F)F
InChI
InChI=1S/C10H11F3NO6P/c11-10(12,13)20-8-3-1-7(2-4-8)9(15)14-5-6-19-21(16,17)18/h1-4H,5-6H2,(H,14,15)(H2,16,17,18)
InChIKey
YAHFSBJEYPSDPU-UHFFFAOYSA-N
Compound name
2-[[4-(trifluoromethoxy)benzoyl]amino]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.02762 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.03490 166.8
[M+Na]+ 352.01684 172.8
[M-H]- 328.02034 162.6
[M+NH4]+ 347.06144 179.1
[M+K]+ 367.99078 171.4
[M+H-H2O]+ 312.02488 155.9
[M+HCOO]- 374.02582 188.2
[M+CH3COO]- 388.04147 201.9
[M+Na-2H]- 350.00229 169.1
[M]+ 329.02707 165.8
[M]- 329.02817 165.8
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.