CID 77324

4-nitrophenyl 2-propylmethylphosphonate

Structural Information

Molecular Formula
C10H14NO5P
SMILES
CC(C)OP(=O)(C)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H14NO5P/c1-8(2)15-17(3,14)16-10-6-4-9(5-7-10)11(12)13/h4-8H,1-3H3
InChIKey
YSHVIWJFWCEDSQ-UHFFFAOYSA-N
Compound name
1-[methyl(propan-2-yloxy)phosphoryl]oxy-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

25
Patents

259.06097 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06825 154.3
[M+Na]+ 282.05019 160.6
[M-H]- 258.05369 157.3
[M+NH4]+ 277.09479 170.9
[M+K]+ 298.02413 156.7
[M+H-H2O]+ 242.05823 150.8
[M+HCOO]- 304.05917 183.2
[M+CH3COO]- 318.07482 189.8
[M+Na-2H]- 280.03564 159.8
[M]+ 259.06042 157.6
[M]- 259.06152 157.6
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

No patent data available for this compound.