CID 1819

5-fluoroindole propanol phosphate

Structural Information

Molecular Formula
C11H13FNO4P
SMILES
C1=CC2=C(C=C1F)C(=CN2)CCCOP(=O)(O)O
InChI
InChI=1S/C11H13FNO4P/c12-9-3-4-11-10(6-9)8(7-13-11)2-1-5-17-18(14,15)16/h3-4,6-7,13H,1-2,5H2,(H2,14,15,16)
InChIKey
YVYGGBFCYXRNKM-UHFFFAOYSA-N
Compound name
3-(5-fluoro-1H-indol-3-yl)propyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.0566 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06388 159.6
[M+Na]+ 296.04582 168.2
[M-H]- 272.04932 156.9
[M+NH4]+ 291.09042 175.9
[M+K]+ 312.01976 164.1
[M+H-H2O]+ 256.05386 150.7
[M+HCOO]- 318.05480 182.9
[M+CH3COO]- 332.07045 189.4
[M+Na-2H]- 294.03127 162.1
[M]+ 273.05605 161.1
[M]- 273.05715 161.2
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.