CID 212842

25133-50-0

Structural Information

Molecular Formula
C10H9N2O6P
SMILES
C1CP(=O)(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H9N2O6P/c13-11(14)8-3-4-10(9(7-8)12(15)16)18-19(17)5-1-2-6-19/h1,3-5,7H,2,6H2
InChIKey
XQUMCQAFIXUZPN-UHFFFAOYSA-N
Compound name
1-(2,4-dinitrophenoxy)-2,3-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.01984 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.02712 156.3
[M+Na]+ 307.00906 161.7
[M-H]- 283.01256 162.5
[M+NH4]+ 302.05366 173.4
[M+K]+ 322.98300 152.7
[M+H-H2O]+ 267.01710 156.9
[M+HCOO]- 329.01804 187.7
[M+CH3COO]- 343.03369 185.8
[M+Na-2H]- 304.99451 164.1
[M]+ 284.01929 154.6
[M]- 284.02039 154.6
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.