CID 444283

5-[hydroxy-(4-nitrophenoxy)phosphoryl]pentanoic acid

Structural Information

Molecular Formula
C11H14NO7P
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(CCCCC(=O)O)O
InChI
InChI=1S/C11H14NO7P/c13-11(14)3-1-2-8-20(17,18)19-10-6-4-9(5-7-10)12(15)16/h4-7H,1-3,8H2,(H,13,14)(H,17,18)
InChIKey
XVVZSEXTAACTPS-UHFFFAOYSA-N
Compound name
5-[hydroxy-(4-nitrophenoxy)phosphoryl]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

303.05078 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.05806 163.1
[M+Na]+ 326.04000 167.7
[M-H]- 302.04350 162.9
[M+NH4]+ 321.08460 176.0
[M+K]+ 342.01394 162.4
[M+H-H2O]+ 286.04804 159.3
[M+HCOO]- 348.04898 189.0
[M+CH3COO]- 362.06463 190.7
[M+Na-2H]- 324.02545 167.9
[M]+ 303.05023 164.8
[M]- 303.05133 164.8
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

patents stripe