CID 262044

Nsc95229

Structural Information

Molecular Formula
C8H8NO5P
SMILES
C1COP(=O)(O1)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C8H8NO5P/c10-9(11)7-3-1-2-4-8(7)15(12)13-5-6-14-15/h1-4H,5-6H2
InChIKey
MWZJKSYQLOVZJG-UHFFFAOYSA-N
Compound name
2-(2-nitrophenyl)-1,3,2lambda5-dioxaphospholane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.014 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.02128 143.8
[M+Na]+ 252.00322 150.5
[M-H]- 228.00672 151.1
[M+NH4]+ 247.04782 162.0
[M+K]+ 267.97716 148.0
[M+H-H2O]+ 212.01126 140.8
[M+HCOO]- 274.01220 173.0
[M+CH3COO]- 288.02785 179.1
[M+Na-2H]- 249.98867 151.5
[M]+ 229.01345 144.0
[M]- 229.01455 144.0
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.